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wuli8(金币+10):感谢 2010-06-15 14:03:21
【老师姓名】：赵宇军
【主页地址】：http://222.201.152.92/
【目前单位】：华南理工大学物理系
【发表文章】：
51. "Energetics and structure of Ti defects and their effect on decomposing of NaAlH4"
C. K. Huang, Yu-Jun Zhao, H. Wang, J. Guo, and M. Zhu, submitted.  
50. "Oxygen Vacancy in LiTiPO5 and LiTi2(PO4)3: A First-Principles Study"
Li-Juan Chen, Yu-Jun Zhao, Jia-Yan Luo, and Yong-Yao Xia, submitted.  
49. "Comparison of S Poisoning Effects on Pd, Au, and Bimetallic PdAu(111) Surfaces" (abstract/pdf)
Li-Yong Gan, Yu-Xia Zhang, and Yu-Jun Zhao, J. Phys. Chem. C 114, 996(2010).  
48. "The origin of p-type conduction in (P, N) co-doped ZnO" (abstract/pdf)
Ren-Yu Tian and Yu-Jun Zhao, J. Appl. Phys. 106, 043707(2009).  
47. "Effect of Oxygen Vacancy on the Structure and Electrochemistry of LiTi2(PO4)3 for Lithium-ion Battery: A Combined Experimental and Theoretical Study" (abstract/pdf)
Jia-Yan Luo, Li-Juan Chen, Yu-Jun Zhao, Ping He, and Yong-Yao Xia, J. Power Sources 194, 1075(2009).  
46. "First-principles-based embedded atom method for PdAu nanoparticles", (abstract/pdf)
Bin Shan, LiGen Wang, S. Yang, J. Hyun, N. Kapur, Yu-Jun Zhao, J. B. Nicholas, and K. Cho, Phys. Rev. B 80, 035404(2009).  
45. "The influence of transition metal additives on the hydriding/dehydriding critical point of NaAlH4", (abstract/pdf)
C.K. Huang, Yu-Jun Zhao, T. Sun, J. Guo, L.X. Sun, and M. Zhu, J. Phys. Chem. C 113, 9936(2009).  
44. "Coverage-Dependent CO Adsorption Energy from First-Principles Calculations", (abstract/pdf)
Bin Shan, Yu-Jun Zhao, Jangsuk Hyun, Neeti Kapur, J. B. Nicholas, and K. Cho J. Phys. Chem. C 113, 6088(2009).  
43. "The Li-site and metal-site ion doping in phosphate-olivine LiCoPO4: A first-principles study" (abstract/pdf)
Zhi-Ping Lin, Yu-Jun Zhao, and Yan-Ming Zhao, Chin. Phys. Lett. 26, 038202(2009).  
42. "Electronic structure and magnetic couplings in anatase TiO2:V codoped with N, F, Cl", (abstract/pdf)
Dan Huang, Yu-Jun Zhao, D. H. Chen, and Y. Z. Shao, J. Phys.: Condens. Matter., 21 125502(2009).  
41. "Structural stability and magnetic properties of Co-doped or adsorbed polar-ZnO surface", (abstract/pdf)
Xiang Chen, Dan Huang, Wen-Ji Deng, and Yu-Jun Zhao, Phys. Lett. A, 373, 391(2009).  
40. "Structural instability of epitaxial zinc-blende vanadium pnictides and chalcogenides for half metallic ferromagnets", (abstract/pdf)
Dan Huang, Yu-Jun Zhao, Li-Juan Chen, D. H. Chen, and Y. Z. Shao, J. Appl. Phys., 104, 053709(2008)  
39. "The impact of lattice volume on the band gap broadening of isovalent S-doped CuInSe2", (abstract /pdf)
Xiang Chen, Yu-Jun Zhao, R. H. Yao, J. L. He, J. Semicond. 29, 1883(2008).  
38. "Pushing p-type conductivity in ZnO by (Zr,N) Codoping: A first-principles study", (abstract/pdf)
Xin-Ying Duan, Yu-Jun Zhao, and Ruo-He Yao, Solid State Comm. 147, 194(2008).  
37. "Magnetism and clustering in Cu doped ZnO", (abstract/pdf)
Dan Huang, Yu-Jun Zhao, D. H. Chen, and Y. Z. Shao, Appl. Phys. Lett. 92, 182509 (2008)  
36. "The mechanism of Li, N dual-acceptor co-doped p-type ZnO", (abstract/pdf)
Xin-Ying Duan, Ruo-He Yao, and Yu-Jun Zhao, Appl. Phys. A 91, 467472 (2008)  
35. "Accurate heat of formation for fully hydrided LaNi5 via the all-electron FLAPW approach", (abstract/pdf)
Yu-Jun Zhao and A. J. Freeman, J. Appl. Phys. 102, 033518(2007)  
34. "Structural stability of (Ga,Mn)As from first principles: Random alloys, ordered compounds, and superlattices", (abstract/pdf)
J. Osorio-Guillen, Yu-Jun Zhao, S. V. Barabash, and Alex Zunger, Phys. Rev. B 74, 035305 (2006)  
33. "Practical rules for orbital-controlled ferromagnetism of 3d impurities in semiconductors", (abstract/pdf)
Yu-Jun Zhao, P. Mahadevan, and Alex Zunger, J. Appl. Phys. 98, 113901 (2005)  
32. "Strong interface adhesion in Fe/TiC", (abstract/pdf)
J.-H. Lee, T. Shishidou, Yu-Jun Zhao, A. J. Freeman, Philosophical Magazine 85, 3683 (2005)  
31. "n-type doping of CuInSe2 and CuGaSe2", (abstract/pdf)
Clas Persson, Yu-Jun Zhao, Stephan Lany, and Alex Zunger, Phys. Rev. B 72, 035211 (2005)  
30. "Zinc-blende half-metallic ferromagnets are rarely stabilized by coherent epitaxy", (abstract/pdf)
Yu-Jun Zhao and Alex Zunger, Phys. Rev. B 71, 132403 (2005).  
29. "Halogen n-type doping of chalcopyrite semiconductors", (abstract/pdf)
Stephan Lany, Yu-Jun Zhao, Clas Persson, and Alex Zunger, Appl. Phys. Lett. 86, 042109 (2005)  
28. "Why can CuInSe2 be readily equilibrium-doped n-type but the wider-gap CuGaSe2 can not", (abstract/pdf)
Yu-Jun Zhao, Clas Persson, Stephan Lany, and Alex Zunger, Appl. Phys. Lett. 85, 5860 (2004)  
27. "Magnetism and electronic structure of Fe chains and nano-wires", (abstract/pdf)
Tzong-Jer Yang, Yu-Jun Zhao, A. J. Freeman, J. Mag. Mag. Mater. 272-276, 1648 (2004)  
26. "Comparison of predicted ferromagnetic tendencies of Mn substituting the Ga site in III-V's and in I-III-VI2 chalcopyrite semiconductors", (abstract/pdf)
Yu-Jun Zhao, Priya Mahadevan, and Alex Zunger, Appl. Phys. Lett. 84, 3753 (2004)  
25. "Screen-exchange determination of the optical properties of large gap insulators: CaF2", (abstract/pdf)
Miyoung Kim, Yu-Jun Zhao, A. J. Freeman, and W. Mannstadt, Appl. Phys. Lett. 84, 3579 (2004)  
24. "Electronic Structure and Ferromagnetism of Mn-substituted CuAlS2, CuGaS2, CuInS2, CuGaSe2, and CuGaTe2", (abstract/pdf)
Yu-Jun Zhao and Alex Zunger, Phys. Rev. B 69, 104422 (2004)  
23. "Site Preference for Mn substitution in spintronic CuMIIIX2VI chalcopyrite semiconductors", (abstract/pdf)
Yu-Jun Zhao and Alex Zunger, Phys. Rev. B 69, 075208 (2004)  
22. "Advanced tetrahedrally-bonded magnetic semiconductors for spintronic applications", (abstract/pdf)
A. J. Freeman and Yu-Jun Zhao, J. Phys. Chem. Solids 64(9-10), 1453 (2003)  
21. "Electronic structure of conducting polymers: Limitations of oligomer extraploation approximations and effects of heteroatoms", (abstract/pdf)
G.R.Hutchison, Yu-Jun Zhao, B. Delley, A.J. Freeman, M.A.Ratner, T.J.Marks, Phys. Rev. B 68, 035204 (2003).  
20. "Overlayer and superlattice studies of metal/ceramic interfaces: Fe/TiC", (abstract/pdf)
T. Shishidou, J.-H. Lee, Yu-Jun Zhao, A.J. Freeman, and G.B. Olson, J. Appl. Phys. 93(10), 6876(2003)  
19. "Ruderman-Kittel-Kasuya-Yosida-like ferromagnetism in MnxGe1-x", (abstract/pdf)
Yu-Jun Zhao, T. Shishidou, and A.J. Freeman, Phys. Rev. Lett. 90, 047204 (2003)  
18. "Mn doped CuGaS2 chalcopyrites: An ab-initio study of ferromagnetic semiconductors", (abstract/pdf)
S. Picozzi, Yu-Jun Zhao, A.J. Freeman, B. Delley. Phys. Rev. B 66, 205206(2002)  
17. "Structural, electronic and magnetic properties of chalcopyrite magnetic semiconductors: A first-principles study", (abstract/pdf)
S. Picozzi, A. Continenza, Yu-Jun Zhao, W.T. Geng, and A.J. Freeman, J. of Vac. Sci. & Tech. A20(6), 2023 (2002)  
16. "Room-temperature ferromagnetic semiconductor: (Zn1-xMnx)GeP2", (abstract/pdf)
Sunglae Cho, Sungyoul Choi, Gi-Beom Cha, Soon Cheol Hong, Yunki Kim, Yu-Jun Zhao, Arthur J. Freeman, John B. Ketterson, B. J. Kim, Y. C. Kim, and Byung-Chun Choi, Phys. Rev. Lett. 88, 257203(2002).  
15. "First-principles prediction of a new class of ferromagnetic semiconductors", (abstract/pdf)
Yu-Jun Zhao and A. J. Freeman, J. of Mag. and Mag. Mater. 246, 145-150 (2002).  
14. "Possible impurity induced ferromagnetism in II-Ge-V2 chalcopyrite semiconductors", (abstract/pdf)
Yu-Jun Zhao, S. Picozzi, A. Continenza, W. T. Geng and A. J. Freeman, Phys. Rev. B 65, 094415(2002).  
13. "Structural, electronic, and magnetic properties of MnAs: LDA and GGA investigations", (abstract/pdf)
Yu-Jun Zhao, W. T. Geng, A. J. Freeman, and B. Delley, Phys. Rev. B 65, 113202(2002).  
12. "Electronic and magnetic properties of Ga1-xMnxAs: Role of Mn defect bands", (abstract/pdf)
Yu-Jun Zhao, W. T. Geng, K. T. Park, and A. J. Freeman, Phys. Rev. B 64, 035207 (2001).  
11. "Magnetism of chalcopyrite semiconductors: Cd1-xMnxGeP2", (abstract/pdf)
Yu-Jun Zhao, W. T. Geng, A. J. Freeman, and T. Oguchi, Phys. Rev. B 63, R201202 (2001).  
10. "Atomic displacement at a Sigma3(111) grain boundary in BaTiO3: A first-principles determination", (abstract/pdf)
W. T. Geng, Yu-Jun Zhao, A. J. Freeman, and B. Delley, Phys. Rev. B 63, 060101 (2001).  
9. "Ab initio Molecular Dynamics Study of Sulfur Adsorption on Si(100) surface", (abstract/pdf)
Yu-Jun Zhao, Ming Jiang, Guanming Lai and Pei-Lin Cao, Phys. Lett. A 255/4-6, 361-366(1999).  
8. "Reconstruction of small Si cluster after ethylene adsorption: A full-potential linear-muffin-tin-orbital molecular-dynamics study", (abstract/pdf)
Min Qiu, Ming Jiang, Yu-Jun Zhao, and Pei-Lin Cao, J. of Chem. Phys., 10738-10745(1999).  
7. "Ab initio Molecular Dynamics Study of adsorption and restoration: Si(100):Se", (abstract/pdf)
Yu-Jun Zhao, Pei-Lin Cao, and Guanming Lai, J. of Phys.: Condens. Matt. 10, 7769(1998).  
6. "Surfactant-mediated layer-by-layer homoepitaxial growth of Cu/In/Cu(100) and Ag/Sb/Ag(111) system: A theoretical study", (abstract/pdf)
Ming Jiang, Yu-Jun Zhao, and Pei-Lin Cao, Phys. Rev. B57, 10054-10061(1998).  
5. "A theoretical study of surfactant action in the layer-by-layer homoepitaxial growth of metals: the case of In on Cu(111)", (abstract/pdf)
Ming Jiang, Min Qiu, Yu-Jun Zhao, and Pei-Lin Cao, Phys. Lett. A, 239, 127(1998).  
4. "Ab initio Molecular Dynamics", (abstract/pdf)
Yu-Jun Zhao, Ming Jiang, Pei-Lin Cao. Progress in Physics (in Chinese), Vol.18, No.1, 47-74(1998).  
3. "The adsorption and reaction of dehydrogenated ethylene on Ni(111): a theoretical study", (abstract/pdf)
Yu-Jun Zhao, S. Bao and Pei-Lin Cao, J. of Phys.: Condens. Matt., 9, 9507(1997).  
2. "Acetylene adsorption on Cu(111) and stepped Cu(111): theoretical study", (abstract/pdf)
Lie-Quan Lee, Dan-Hua Shi, Yu-Jun Zhao, and Pei-Lin Cao, J. of Phys.: Condens. Matt., 7, 6449(1995).  
1. "Path integrate approach to the propagator for a charged particle in a time-dependent electromagnetic field", (abstract/pdf)
Jin-Bo Xu, Yu-Jun Zhao, and Xiao-Chun Gao, Commun. Theor. Phys. 22, 135 (1994).
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wuli8(金币+10):感谢 2010-06-15 14:03:01
【老师姓名】：夏钶
【主页地址】：http://physics.bnu.edu.cn/application/faculty/xiake/index.htm
【目前单位】：北京师范大学物理学系
【发表文章】：
2009  
R. Acharyya, H. Y. T. Nguyen, R. Loloee, W. P. Pratt, Jr., J. Bass, Shuai Wang,and Ke Xia, Specific resistance of Pd/Ir interfaces, APPLIED PHYSICS LETTERS 94, 022112(2009).
A. Sharma, N. Theodoropoulou, Shuai Wang, Ke Xia, W. P. Pratt, Jr., and J. Bass, Sensitivity of Ag/Al interface specific resistances to interfacial intermixing, JOURNAL OF APPLIED PHYSICS 106, ???(2009).
Youqi Ke, Ferdows Zahid, V. Timoshevskii, Ke Xia, D. Gall, and Hong Guo, Resistivity of thin Cu films with surface roughness, PHYSICAL REVIEW B 79, 155406(2009).

2008  
Youqi Ke, Ke Xia, and Hong Guo, Disorder Scattering in Magnetic Tunnel Junctions: Theory of Nonequilibrium Vertex Correction, PRL 100, 166805 (2008).
Jiang Chen, Yibin Hu, Ke Xia, and Zhongshui Ma, Achievement of sensing single spin with the aid of Kondo resonance in quantum dot connected to ferromagnetic electrodes, APPLIED PHYSICS LETTERS 92, 182104(2008).
Shuai Wang, Yuan Xu, and Ke Xia, First-principles study of spin-transfer torques in layered systems with noncollinear magnetization, PHYSICAL REVIEW B 77, 184430 (2008).
Yuan Xu, Shuai Wang, and Ke Xia, Spin-Transfer Torques in Antiferromagnetic Metals from First Principles, PRL 100, 226602 (2008).
Yuan Xu, Ke Xia and Zhongshui Ma, Spin transfer torques in the nonlocal lateral spin valve, Nanotechnology 19, 235404 (2008).
Peng Xu, Ke Xia, Changzui Gu, Ling Tang, Haifang Yang AND JunJie Li, An all-metallic logic gate based on current-driven domain wall motion, Nature nanotechnology, 3, 97, (2008).

2007  
Zhenyue Zhu,Yong Wang, Ke Xia, X. C. Xie, and Zhongshui Ma, Time-reversal Aharonov-Casher effect in mesoscopic rings with spin-orbit interaction, Phys. Rev. B 76, 125311(2007).
Geng, H.; Hu, Y.; Shuai, Z.; Xia, K.; Gao, H.; Chen, K., Molecular Design of Negative Differential Resistance Device through Intermolecular Interaction, J. Phys. Chem. C.111.19098 (2007).
Yuan Xu, Xi Mi, Y. Z. Wu, and Ke Xia, Spin dependence of interfacial reflection phase-shift at the Cu-Co interface, Phys. Rev. B.76, 184431(2007).

2006  
D. Waldron, V.Timoshevskii, YB Hu, K. Xia, H. Guo, First principles modeling of tunnel magnetoresistance of Fe/MgO/Fe trilayers, Phys. Rev. Lett. 97, 226802(2006).
PX Xu, K. Xia, Ab initio calculations of the alloy resistivities of lattice-matched and lattice-mismatched metal pairs: Influence of local-impurity-induced distortions, Phys. Rev. B.74, 184206(2006).
ZM Liao YD Li, J Xu, JM Zhang, K. Xia, DP Yu, Spin-filter effect in magnetite nanowire, NANO LETTERS 6, 1087(2006).
PX Xu, VM Karpan, K. Xia, M. Zwierzycki, I. Marushchenko, PJ Kelly, Influence of roughness and disorder on tunneling magnetoresistance, Phys. Rev. B 73, 180402(R)(2006).
DB Ling, K. Xia, DP Li, ZS Ma, Modulation of spin distribution and spin transport by a magnetic field in a quasi-one-dimensional system with spin-orbit coupling, CHINESE PHYSICS LETTERS 23, 1562(2006).
Xu, PX; Xia, K; Zwierzycki, M; Talanana, M; Kelly, PJ, Orientation-dependent transparency of metallic interfaces, Phys. Rev. Lett. 96, 176602 (2006).
Liu, JF; Deng, WJ; Xia, K; Zhang, C; Ma, ZS, Transport of spin-polarized electrons in a magnetic superlattice, Phys. Rev. B 73, 155309 (2006).
K. Xia, M. Zwierzycki, M. Talanana, P. J. Kelly, and G. E. W. Bauer, First-principles scattering matrices for spin transport, Phys. Rev. B 73, 064420 (2006).
Yong Wang, Ke Xia, Zhao-Bin Su, and Zhongshui Ma, Consistency in Formulation of Spin Current and Torque Associated with a Variance of Angular Momentum, Phys. Rev. Lett. 96, 066601 (2006).
P. Xu, K. Xia, H. F. Yang, J. J. Li, and C. Z. Gu, Temperature-dependent resistance changes in invar alloy nanocontact, Appl. Phys. Lett. 88, 033108 (2006).

2005  
S. K. Olson, R. Loloee, N. Theodoropoulou, W. P. Pratt, Jr., J. Bass, P. X. Xu, and Ke Xia, Comparison of measured and calculated specific resistances of Pd/Pt interfaces, Appl. Phys. Lett. 87, 252508 (2005).
Gerrit E. W. Bauer, Yaroslav Tserkovnyak, Arne Brataas, Jun Ren, Ke Xia, et.al., Spin accumulation and decay in magnetic Schottky barriers, Phys. Rev. B 72, 155304 (2005).
C. Galinon, K. Tewolde, R. Loloee, W. Chiang, S. Olson, H. Kurt, W. Pratt, J. Bass, P. X. Xu, Ke Xia, et.al., Pd/Ag and Pd/Au interface specific resistances and interfacial spin flipping, Appl. Phys. Lett. 86, 182502 (2005).
Yu-Xian Li, Ke Xia , and Xiangrong Wang, Magnetocohesive force of a ferromagnetic quantum point contact, Europhys. Lett. 70, 244(2005).

2003  
L. Shan, K. Xia, Z. Y. Liu, H. H. Wen, Z. A. Ren, G. C. Che, and Z. X. Zhao, Influence of carbon concentration on the superconductivity in MgCxNi3, Phys. Rev. B 68, 024523 (2003).
M. Zwierzycki, K. Xia, P. J. Kelly, G. E. W. Bauer, and I. Ture, Spin-injection through an Fe/InAs interface, Phys. Stat. Sol.(a) 196, 25(2003).
M. Zwierzycki, K. Xia, P. J. Kelly, G. E. Bauer, and I. Turek, Spin injection through an Fe/InAs Interface, Phys. Rev. B 67, 09240(2003).

2002  
Bauer GEW, Schep KM, Xia K, Kelly PJ, Scattering theory of interface resistance in magnetic multilayers, J. Phys. D 35, 2410(2002).
K. Xia, P. J. Kelly, G. E. W. Bauer, and I. Turek, Spin-Dependent Transparency of Ferromagnet/Superconductor Interfaces, Phys. Rev. Lett. 89, 166603 (2002).
K. Xia, P. J. Kelly, G. E. W. Bauer, A. Brataas, and I. Turek, Spin torques in ferromagnetic/normal-metal structures, Phys. Rev. B 65, 220401 (2002).

2001  
Bauer GEW, Nazarov YV, Huertas-Hernando D, Brataas A, Xia K, Kelly PJ, Semiclassical concepts in magnetoelectronics, Mat. & Eng. B-Solid State Mater. for Adv. Tech. 84 (1-2), 31-36 (2001).
K. Xia, P. J. Kelly, G. E. W. Bauer, I. Turek, J. Kudrnovsky, and V. Drchal, Interface resistance of disordered magnetic multilayers, Phys. Rev. B 63, 064407 (2001).

1998  
Du J, Tong LN, Lu M, Xia K, Pan MH, Wu J, Feng D, Zhai HR, Chen LY, Jin XF, Xia H, Concurrent variation of giant magnetoresistance and saturation Kerr relation in NiCo/Cu multilayers, Appl. Phys. Lett. 72, 3371(1998).
Tong LN, Lu M, Du J, Ji W, Zhao HW, Xia K, You B, Zhai HR, The magnetic properties of Co/Pb multilayers, J. MAG. AND MAG. MAT. 177, Part 2, 1211(1998).
Tong LN, Du J, Lu M, Wu XS, Xia K, Zhao HW, You B, Zhai HR, XiaH, Magnetic anisotropy and ferromagnetic resonance in Co/Pb multilayers, PHYSICA STATUS SOLIDI A-APPLIED RESEARCH 165, 261(1998).

1997  
Zhang WY, Zhuang M, Xia K, Ming NB, A simple model of the giant magnetoresistance in doped LaMnO3 perovskite, Phys. Rev. A 237, 90(1997).
Xia, K; Zhang, WY; Lu, M; Zhai, HG, Noncollinear interlayer coupling across a semiconductor spacer, Phys. Rev B, 56 ,14901(1997).
Du J, Tong LN, Sui YX, Lu M, Zhao HW, Xia K, Zhai HR, Xia H, Structure and interlayer coupling in Co/V multilayers, Z. PHYS. B-CONDENSED MATTER 104, 387(1997).
You B, Zhou SM, Chen LY, Zhao HW, Xia K, Du J, Tong LN, Lu M, Zhai HR, Giant magnetoresistance in granular type (Co-Ag)/Ag multilayers, Chin. Phys. Lett. 14, 778(1997).
Xia K, Zhang WY, Lu M, Zhai HR, A comparative study of Heisenberg-like models with and without internal spin fluctuations, J. Phys. Cond. Matt. 9, 5643(1997).
Xia K, Zhang WY, Lu M, Zhai HR, Temperature dependence of noncollinear interlayer coupling, Phys. Lett. A 230, 223(1997).
Xia, K; Zhang, WY; Lu, M; Zhai, HR, Noncollinear interlayer exchange coupling caused by interface spin-orbit interaction, Phys. Rev. B, 55, 12561( 1997).
Xia K, Zhang WY, Zhai HR, Magnetization and susceptibility of the two-spin Heisenberg model, SOLID STATE COMMUNICATIONS 102, 35(1997).

1996  
Bie QS, Lu M, Du J, Zhao HW, Xia K, Zhai HR, Zhou SM, Jin QY, Chen LY, Complex optical constants and magneto-optic Kerr effect of Co/Al/Co sandwiches, Phys. Lett. A 210, 341(1996).
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小木虫(金币+0.5):给个红包，谢谢回帖交流
wuli8(金币+10):感谢分享 2010-06-15 14:39:49
【老师姓名】：潘必才
【主页地址】：http://lixy.ustc.edu.cn/detail.p ... c1&postid=10708
【目前单位】：中国科技大学物理系
【发表文章】：
1. A.J. Lu, B. C. Pan*,
Nature of single vacancy in achiral carbon nanotubes,
Phys. Rev. Lett. (in press).

2. R. Biswas, B.C. Pan, Y.Y. Ye,
Metastability of amorphous silicon from silicon network rebonding,
Phys. Rev. Lett. 88, 205502(2002).

3. B.C. Pan,
Tight-bonding potential for hydrocarbons,
Phys. Rev. B 64, 155408(2001)。

4. K.M. Ho, A. A. Shvartsburg, Bicai Pan, Zhong-Yi Lu, C.Z. Wang, J.G.
Wacher, J.L. Fye and Martin F. Jarrold,
Structures of medium-sized silicon clusters,
Nature (London) 392, 582(1998)。
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wuli8(金币+10):感谢分享 2010-06-15 14:39:58
【老师姓名】：李微雪
【主页地址】：http://www.tc.dicp.ac.cn/members/wxli.htm
【目前单位】：中国科学院大连化学物理研究所
【发表文章】：
1) W.X. Li, Oxidation of platinum surfaces and reaction with carbon monoxide (Topical Review),
J. Phys.Condens. Matt. 20, 184002 (2008).
2) X. F. Ma, H. Q. Deng, M. M. Yang, and W. X. Li, Atomic and Molecular Adsorption on RhMn Alloy Surface: A First Principles Study, J. Chem. Phys. 129,244711 (2008)
3) X. Liu, S. B. Zhang, X. C. Ma, J. F. Jia, Q. K. Xue, X. H. Bao and W. X. Li, Wavevector-Dependent Quantum-Size Effect in Electron Decay Length at Pb Thin Film Surfaces, Appl. Phys. Lett., 93, 093105 (2008).
4) H. Y. Su, X. H. Bao, and W. X. Li, Modulating the reactivity of Ni-containing Pt(111)-skin catalysts by density functional theory calculations, J. Chem. Phys. 128, 194707(2008).
5) M. M. Yang, X. H. Bao, and W. X. Li, First Principles Study of Ethanol Adsorption and Formation of Hydrogen Bond on Rh(111) Surface, J. Phys. Chem. C 111,7403 (2007).
6) S. Helveg, W. X. Li, N. C. Bartelt,  S. Horch, E. Laegsgaard, B. Hammer and F.Besenbacher, Role of Surface Elastic Relaxations in an O-induced Nanopattern on Pt(110)-(1x2), Phys. Rev. Lett. 98, 115501(2007).
7) X. C. Ma, P. Jiang, Y. Qi, J. F. Jia, Y. Yang, W. H. Duan, W. X.  Li, X. H. Bao, S. B. Zhang, and Q. K. Xue, Experimental observation of quantum oscillation of surface chemical reactivities, Proc. Natl. Acad. Sci.USA 104, 9204 (2007)
8) J.G. Wang, W. X. Li, M. Borg, J. Gustafson, A. Mikkelsen, T. M. Pedersen, E. Lundgren, J. Weissenrieder, J. Klikovits, M. Schmid, B. Hammer, and J. N. Andersen, One-dimentional PtO2 Oxide at Pt Steps: formation and reaction with CO,  Phys. Rev. Lett. 95, 256102 (2005)
9) W. X. Li, L. Osterlund, E. K. Vestergaard, R.T. Vang, J. Matthiesen, T.M. Pedersen, E. Lægsgaard, B. Hammer, and F. Besenbacher,  Oxidation of Pt(110),  Phys. Rev. Lett. 93, 146104(2004).
10)  W. X. Li, C. Stampfl and M. Scheffler, Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst, Phys. Rev. Lett.90, 256102 (2003).
11) W. X. Li, C. Stampfl and M. Scheffler Sub-surface Oxygen and surface oxide formation at Ag(111): Density Functional Theory Investigation, , Phys. Rev. B 67, 045408 (2003)
12) W.-X. Li, C. Stampfl and M. Scheffler, Oxygen adsorption on Ag(111): Density Functional Theory Investigation, Phys. Rev. B 65, 075407 (2002).
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zzy870720z

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小木虫(金币+0.5):给个红包，谢谢回帖交流
wuli8(金币+10):感谢 2010-06-16 16:38:55
【老师姓名】：方海平
【主页地址】：http://www.sinap.ac.cn/physbio/zucheng/fhp.htm
【目前单位】：中科院上海应用物理研究所
【发表文章】：
1.        Xiaojing Gong, Jingyuan Li, Hangjun Lu, Rongzheng Wan, Jichen Li, Jun Hu, and Haiping Fang*, A charge driven molecular water pump, NATURE Nanotechnology 2, 709-712 (2007) (Hightlighted in NATURE Nanotechnology “News & Views”、 “NATURE China”、 “New Scientist”)

2.        Jingyuan Li, Xiaojing Gong, Hangjun Lu, Ding Li, Haiping Fang*, and Ruhong Zhou, Electrostatic Gating of a Nanometer Water Channel, Proc. Natl. Acad. Sci. USA 104，3687 (2007）

3.        Xiaojing Gong, Jingyuan Li, Hangjun Lu, He Zhang and Haiping Fang*, Enhancement of Water Permeation across a Nanochannel by the Structure outside the Channel, Phys. Rev. Lett. 101, 257801 (2008).

4.        Peng Xiu, Bo Zhou, Wenpeng Qi, Hangjun Lu, Yusong Tu, and Haiping Fang*, Manipulating Biomolecules with Aqueous Liquids Confined within Single-walled Nanotubes, J. Am. Chem. Soc. 131, 2840 (2009)

5.        Rongzheng Wan, Jingyuan Li, Hangjun Lu,  Haiping Fang*, Controllable water channel gating of nanometer dimensions, J. Am. Chem. Soc. 127, 7166 (2005)

6.        Guanghong Zuo, Jun Hu, Haiping Fang*, The Effect of the Ordered Water on Protein Folding: An Off-Lattice G\={o}-Like Model Study, Phys. Rev. E, 79_031925 (2009) (hightlighted in“NATURE China”)

7.        Haiping Fang*, Rongzheng Wan, Xiaojing Gong, Hangjun Lu, and Songyan Li, Dynamics of single-file water chains inside nanoscale channels: physics and biological significance and applications, J. Phys D. (Topical Review), 41, 103002 (2008)

8.         Yusong Tu, Peng Xiu, Rongzheng Wan, Jun Hu, Ruhong Zhou* and Haiping Fang*, Water-mediated signal transduction with Y-shaped carbon nanotube, Proc. Natl. Acad. Sci. USA, 106, 18120 (2009)

　

9.    Chunlei Wang, Hangjun Lu, Zhigang Wang, Peng Xiu, Bo Zhou, Guanghong Zuo, Rongzheng Wan, Jun Hu and Haiping Fang*, Stable Liquid Water Droplet on a Water Monolayer Formed at Room Temperature on Ionic Model Substrates, Phys. Rev. Lett. 1 103,137801 (2009).

[ Last edited by zzy870720z on 2010-6-15 at 17:06 ]
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leoleu

金虫 (正式写手)
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
zzy870720z(金币+10):这个绝对是个牛人，和马琰铭老师合作，呵呵，谢谢分享 2010-06-15 14:28:50
【老师姓名】（必填）：Artem R. Oganov
【主页地址】：（必填）http://www.geosciences.stonybroo ... /oganov/oganov.html
【目前单位】（选填）Faculty member at Stony Brook since 2008
【发表文章】（选填）84. Oganov A.R. (2010). Boron under pressure: phase diagram and novel high-pressure phase.
In “Boron rich solids”, eds. N. Orlovskaya and M. Lugovy. In press.


83. Lyakhov A.O., Oganov A.R., Ma Y., Wang Y., Valle M. (2010).
Crystal structure prediction using evolutionary approach.
In “Modern methods of crystal structure prediction”, ed. A.R. Oganov. Wiley-VCH. In press.
82. Oganov A.R., Ma Y., Lyakhov A.O., Valle M., Gatti C. (2010).
Evolutionary crystal structure prediction and novel high-pressure phases.
In “High-pressure crystallography”, Lecture Notes of the Erice school, in press.
81. Jung D.Y., Vinograd V.L., Fabrichnaya O.B., Oganov A.R., Schmidt M.W., Winkler B. (2010).
Thermodynamics of mixing in MgSiO3-Al2O3 perovskite and ilmenite from ab initio calculations.
Earth Planet. Sci. Lett., in press.
80. Xie Y., Oganov A.R., Ma Y. (2010).
Novel structures and high pressure superconductivity of CaLi2.
Phys. Rev. Lett. 104, 177005 (pdf-file, Supplementary Material).


79. Oganov A.R., Lyakhov A.O. (2010).
Towards the theory of hardness of materials.
J. Superhard Mater., in press.


78. Oganov A.R., Ma Y.M., Xu Y., Errea I., Bergara A., Lyakhov A.O. (2010).
Exotic behavior and crystal structures of calcium under pressure.
Proc. Natl. Acad. Sci.107, 1317-1320 (pdf-file, Supplementary Material).


77. Oganov A.R., Ma Y., Lyakhov A.O., Valle M., Gatti C. (2010).
Evolutionary crystal structure prediction as a method for the discovery of minerals and materials.
Rev. Mineral. Geochem. 71, 271-298 (pdf-file).


76. Zhang F., Oganov A.R. (2010).
Iron silicides at pressures of the Earth's inner core.
Geophys. Res. Lett. 37, art. L02305 (pdf-file).


75. Gao G., Oganov A.R., Li Z., Li P., Cui T., Bergara A., Ma Y., Iitaka T., Zou G. (2010).
Crystal structures and superconductivity of stannane under high pressure.
Proc. Natl. Acad. Sci. 107, 1317-1320 (pdf-file).


74. Zurek E., Hoffmann R., Ashcroft N.W., Oganov A.R., Lyakhov A.O. (2009).
A little bit of lithium does a lot for hydrogen.
Proc. Natl. Acad. Sci. 106, 17640-17643. (pdf-file, Supplementary Material)


73. Oganov A.R., Solozhenko V.L. (2009).
Boron: a hunt for superhard polymorphs.
J. Superhard Materials 31, 285-291. (pdf-file).


72.    Li Q., Ma Y., Oganov A.R., Wang H., Wang H., Xu Y., Cui T., Mao H.-K., Zou G. (2009).
Superhard monoclinic polymorph of carbon.
Phys. Rev. Lett. 102, 175506. (pdf-file).


71.    Hu C.H., Oganov A.R., Zhou H.Y., Hafner J. (2009).
Insulating states of LiBeH3 under extreme compression.
Phys. Rev. B79, 134116. (pdf-file).


70.    Wang H., Li Q., Li Y., Cui T., Oganov A.R., Ma Y. (2009).
Ultra-incompressible phases of tungsten dinitride predicted from first principles.
Phys. Rev. B79, 132109. (pdf-file).


69.    Schönborn S., Goedecker S., Roy S., Oganov A.R. (2009).
The performance of minima hopping and evolutionary algorithms for cluster structure prediction.
J. Chem. Phys. 130, 144108. (pdf-file).


68.    Xu Y., Tse J.S., Oganov A.R., Cui T., Wang H., Ma Y., Zou G. (2009).
Superconducting high-pressure phase of cesium iodide.
Phys. Rev. B79, 144110. (pdf-file).


67.    Li Q., Wang M., Oganov A.R., Cui T., Ma Y., Zou G. (2009).
Rhombohedral superhard structure of BC2N.
J. Appl. Phys. 105, 053514. (pdf-file).


66.    Oganov A.R., Valle M. (2009).
How to quantify energy landscapes of solids.
J. Chem. Phys. 130, 104504. (pdf-file).


65.    Ma Y., Eremets M.I., Oganov A.R., Xie Y., Trojan I., Medvedev S., Lyakhov A.O., Valle M., Prakapenka V. (2009).
Transparent dense sodium.
Nature 458, 182-185. (pdf-file, Supporting Online Material).


64.    Martinez-Canales M., Oganov A.R., Lyakhov A., Ma Y., Bergara A. (2009).
Novel structures of silane under pressure.
Phys. Rev. Lett. 102, 087005. (pdf-file).


63.    Ma Y., Oganov A.R., Xie Y., Li Z., Kotakoski J. (2009).
Novel high pressure structures of polymeric nitrogen.
Phys. Rev. Lett. 102, 065501. (pdf-file).


62.    Ma Y., Wang Y., Oganov A.R. (2009).
Absence of superconductivity in the novel high-pressure polymorph of MgB2.
Phys. Rev. B79, 054101. (pdf-file).


61. Solozhenko V.L., Kurakevych O.O., Oganov A.R. (2008).
On the hardness of a new boron phase, orthorhombic gamma-B28.
J. Superhard Mater. 30, 428-429. (pdf-file).


60.    Oganov A.R., Chen J., Gatti C., Ma Y.-Z., Ma Y.-M., Glass C.W., Liu Z., Yu T., Kurakevych O.O., Solozhenko V.L. (2009).
Ionic high-pressure form of elemental boron.
Nature 457, 863-867. (pdf-file, Supporting Online Material).


59.    Errea I., Martinez-Canales M., Oganov A.R., Bergara A. (2008).
Fermi surface nesting and phonon instabilities in simple cubic calcium.
High Pressure Research 28, 443-448. (pdf-file).


58.    Hu C.H., Oganov A.R., Wang Y.M., Zhou H.Y., Lyakhov A., Hafner J. (2008).
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations.
J. Chem. Phys. 129, art. 234105. (pdf-file).


57.    Valle M., Oganov A.R. (2008).
Crystal structure classifier for an evolutionary algorithm structure predictor.
IEEE Symposium on Visual Analytics Science and Technology (October 21 - 23, Columbus, Ohio, USA), pp. 11- 18 (pdf-file).


56. Gao G., Oganov A.R., Bergara A., Martinez-Canalez M., Cui T., Iitaka T., Ma Y., Zou G. (2008).
Superconducting high pressure phase of germane.
Phys. Rev. Lett. 101, 107002 (pdf-file).


55. Oganov A.R., Ono S., Ma Y., Glass C.W., Garcia A. (2008).
Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in the Earth's lower mantle.
Earth Planet. Sci. Lett. 273, 38-47 (pdf-file).


54. Ma Y., Oganov A.R., Xie Y. (2008).
High pressure structures of lithium, potassium, and rubidium predicted by ab initio evolutionary algorithm.
Phys. Rev. B78, 014102 (pdf-file).


53. Koci L., Ma Y., Oganov A.R., Souvatzis P., Ahuja R. (2008).
Anomalous elastic behavior of superconducting metals V, Nb, Ta, Mo and W at high pressure.
Phys. Rev. B77, art. 064101 (pdf-file).


52. Ono S.,  Oganov A.R., Brodholt J.P., Vocadlo L., Wood I.G., Lyakhov A., Glass C.W., Côté  A.S., Price G.D. (2008).
High-pressure phase transformations of FeS: novel phases at conditions of planetary cores.
Earth Planet. Sci. Lett. 272, 481-487 (pdf-file).


51. Oganov A.R., Glass C.W. (2008).
Evolutionary crystal structure prediction as a tool in materials design.
J. Phys.: Cond. Mattter 20, art. 064210 (invited paper) (pdf-file).


50. Oganov A.R. (2007).
Thermodynamics, phase transitions, equations of state and elasticity of minerals at high pressures and temperatures.
In: Treatise on Geophysics, vol. 2 (Mineral Physics, edited by G.D. Price), 121-152.


49. Oganov A.R., Ma Y., Glass C.W., Valle M. (2007).
Evolutionary crystal structure prediction: overview of the USPEX method and some of its applications.
Psi-k Newsletter, number 84, Highlight of the Month, 142-171 (pdf-file).


48. Ma Y.-M., Oganov A.R., Glass C.W. (2007).
Structure of the metallic zeta-phase of oxygen and isosymmetric nature of the epsilon-zeta phase transition: Ab initio simulations.
Phys. Rev. B76, art. 064101 (pdf-file).


47. Martonák R., Donadio D., Oganov A.R., Parrinello M. (2007).
4- to 6- coordinated silica: transformation pathways from metadynamics.  
Phys. Rev. B76, art. 014120 (pdf-file).


46. Martonak R., Oganov A.R., Glass C.W. (2007).
Crystal structure prediction and simulations of structural transformations: metadynamics and evolutionary algorithms.
Phase Transitions 80, 277-298 (pdf-file).


45. Hassdenteufel K.H., Oganov A.R., Steurer W., Katrich S. (2007).
Ab initio study of the W-phase of Al-Co-Ni, an approximant of the decagonal Al-Co-Ni quasicrystal.
Phys. Rev. B75, art. 144115 (pdf-file).


44. Xie Y., Tse J.S., Cui T., Oganov A.R., He Z., Ma Y., Zou G. (2007).
Electronic and phonon instabilities in face-centered cubic alkali metals under pressure.
Phys. Rev. B75, art. 064102 (pdf-file).


43. Dorogokupets P.I., Oganov A.R. (2007).
Ruby, metals, and MgO as alternative pressure scales: A semiempirical description of shock-wave, ultrasonic, x-ray, and thermochemical data at high temperatures and pressures.
Phys. Rev. B75, art. 024115 (pdf-file; extended PVT-tables for pressure calibration).


42. Glass C.W., Oganov A.R., Hansen N. (2006).
USPEX – evolutionary crystal structure prediction.
Comp. Phys. Comm. 175, 713-720 (pdf-file).


41. Zhang F., Oganov A.R. (2006).
Valence and spin states of iron impurities in mantle-forming silicates.
Earth Planet. Sci. Lett. 249, 436-443 (pdf-file).


40. Pushcharovsky D.Yu., Oganov A.R. (2006).
Structural transformations of minerals in deep geospheres: a review.
Crystallography Reports 51, 767-777. (pdf-file; there is also a Russian version).


39. Dorogokupets P.I., Oganov A.R. (2006).
Equations of state of Al, Au, Cu, Pt, Ta and W and the revised ruby pressure scale.
Doklady Earth Sciences 410, 1091-1095 (pdf-file; there is also a Russian version).


38. Oganov A.R., Glass C.W. (2006).
Crystal structure prediction using ab initio evolutionary techniques: principles and applications.
J. Chem. Phys. 124, art. 244704 (pdf-file).


37. Martonák R., Donadio D., Oganov A.R., Parrinello M. (2006).
Crystal structure transformations in SiO2 from classical and ab initio metadynamics.
Nature Materials 5, 623-626 (pdf-file).


36. Zhang F., Oganov A.R. (2006).
Mechanisms of Al3+ incorporation in MgSiO3 post-perovskite at high pressures.
Earth Planet. Sci. Lett. 248, 54-61 (pdf-file).


35. Adams D.J., Oganov A.R. (2006).
Ab initio molecular dynamics study of CaSiO3 perovskite at P-T conditions of Earth’s lower mantle.
Phys. Rev. B73, art. 184106 (pdf-file).


34. Ono S., Oganov A.R., Koyama T., Shimizu H. (2006).
Stability and compressibility of high-pressure phase of Al2O3 up to 200 GPa: implications for electrical conductivity at the base of the lower mantle.
Earth Planet. Sci. Lett. 246, 326-335 (pdf-file).


33. Boldyreva E.V., Ahsbahs H., Chernyshev V.V., Ivashevskaya S.N., Oganov A.R. (2006).
Effect of hydrostatic pressure on the crystal structure of sodium oxalate: X-ray diffraction study and ab initio simulations.
Z. Krist. 221, 186-197 (pdf-file).


32. Ghose S., Krisch M., Oganov A.R., Beraud A., Bossak A., Gulve R., Seelaboyina R., Yang H., Saxena S.K. (2006).
Lattice dynamics of MgO at high pressure: theory and experiment.
Phys. Rev. Lett. 96, 035507 (pdf-file).


31. Oganov A.R., Glass C.W., Ono S. (2006).
High-pressure phases of CaCO3: crystal structure prediction and experiment.
Earth Planet. Sci. Lett. 241, 95-103 (pdf-file).


30. Oganov A.R., Martonák R., Laio A., Raiteri P., Parrinello M. (2005).
Anisotropy of Earth’s D” layer and stacking faults in the MgSiO3 post-perovskite phase.
Nature 438, 1142-1144 (pdf-file).


29. Oganov A.R., Ono S. (2005).
The high pressure phase of alumina and implications for Earth’s D” layer.
Proc. Natl. Acad. Sci. 102, 10828-10831 (pdf-file).


28. Ono S. & Oganov A.R. (2005).
In situ observations of phase transition between perovskite and CaIrO3-type phase in MgSiO3 and pyrolitic mantle composition.
Earth and Planetary Science Letters 236, 914-932 (pdf-file).


27. Adams D.J. & Oganov A.R. (2005).
Theory of minerals at extreme conditions: predictability of structures and properties.
EMU Notes in Mineralogy v.7 (“High-Pressure Behaviour of Minerals”, edited by R. Miletich), 117-138.


26. Jung D.Y. & Oganov A.R. (2005).
Basics of first-principles simulation of matter under extreme conditions.
EMU Notes in Mineralogy v.7 (“High-Pressure Behaviour of Minerals”, edited by R. Miletich), 441-457.


25. Jung D.Y. & Oganov A.R. (2005).
Ab initio study of the high-pressure behaviour of CaSiO3 perovskite.
Phys. Chem. Minerals 32, 146-153 (pdf-file).


24. Oganov A.R., Price G.D., Scandolo S. (2005).
Ab initio theory of planetary materials.
Zeitschrift fuer Kristallographie 220, 531-548 (pdf-file).  


23. Oganov A.R. & Price G.D. (2005).
Ab initio thermodynamics of MgSiO3 perovskite at high pressures and temperatures.
J. Chem. Phys. 122, art. 124501 (pdf-file).


22. Alfredsson M., Dobson D.P., Oganov A.R., Catlow C.R.A., Brodholt J.P., Parker S.C., Price G.D. (2005).
Crystal morphology and surface structures of the orthorhombic MgSiO3 perovskite.
Phys. Chem. Minerals 31, 671-682 (pdf-file).


21. Oganov A.R., Gillan M.J., Price G.D. (2005).
Structural stability of silica at high pressures and temperatures.
Phys. Rev. B71, art. 064104 (pdf-file).


20. Oganov A.R. (2004).
Phase diagrams of minerals from first principles.
Proceedings of the CECAM Workshop "First-Principles Simulations: Perspectives and Challenges in Mineral Sciences" (Berichte aus Arbeitskreisen der DGK, Nr. 14, German Crystallographic Society), pp. 53-62.  


19. Oganov A.R. & Ono S. (2004).
Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer.
Nature 430, 445-448. (pdf-file).


18. Oganov A.R. & Dorogokupets P.I. (2004).
Intrinsic anharmonicity in thermodynamics and equations of state of solids.
J. Phys.: Cond. Matter. 16, 1351-1360. (pdf-file).


17. Dorogokupets P.I. & Oganov A.R. (2004).
Intrinsic anharmonicity in equations of state of solids and minerals.
Doklady Earth Sciences 395, 238-241. (pdf-file).


16. Oganov A.R. (2004).
Theory of Minerals at High and Ultrahigh Pressures: Structure, Properties, Dynamics, and Phase Transitions.
In: High-Pressure Crystallography, NATO Science Series: II: Mathematics, Physics and Chemistry, vol. 140, p.199-215 (edited by A.Katrusiak, P.F.McMillan). Kluwer Academic Publishers, Dordrecht. (pdf-file).


15. Senyshyn A., Oganov A.R., Vasylechko L., Ehrenberg H., Bismayer U., Berkowski M., Matkovskii A. (2004).
Crystal structure and thermal expansion of the perovskite - type Nd0.75Sm0.25GaO3 - powder diffraction and lattice dynamical studies.
J. Phys.: Cond. Matter. 16, 253-265. (pdf-file)


14. Dorogokupets P.I. & Oganov A.R. (2003).
Equations of state of Cu and Ag and the revised ruby pressure scale.
Doklady Earth Sciences 391A, 854-857. (pdf-file)


13. Oganov A.R. & Dorogokupets P.I. (2003).
All-electron and pseudopotential study of MgO: Equation of state, anharmonicity, and stability.  
Phys. Rev. B67, art. 224110 (pdf-file)
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26楼2010-06-15 14:26:33
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goldenfisher

金虫 (著名写手)
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
zzy870720z(金币+10):辛苦了，是的，这种人都是大牛，谢谢分享 2010-06-15 21:40:13
我个人感觉能写code的小组里的主要人员也算是真正的牛人。
【老师姓名】（必填）：Paolo Giannozzi
【主页地址】：（必填）http://www.fisica.uniud.it/~giannozz/
【目前单位】（选填）Dipartimento di Fisica, Università di Udine
【发表文章】（选填）
#  Quantitative local environment characterization in amorphous oxides, A. Amézaga, Erik Holmström, R. Lizárraga, E. Menéndez-Proupin, P. Bartolo-Pérez, and P. Giannozzi,  Phys. Rev. B 81, 014210 (2010).
# Gas adsorption on graphene doped with B, N, Al, S: a theoretical study, J. Dai, J. Yuan, and P. Giannozzi, Appl. Phys. Lett. 95, 232105 (2009).
# Ab initio theoretical investigation of Phthalocyanine-Semiconductor hybrid systems, G. Mattioli, F. Filippone, P. Giannozzi, R. Caminiti, and A. Amore Bonapasta, Chem. Mater. 21, 4555-4567 (2009)
#Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials, P. Giannozzi et al., J. Phys.: Condens. Matter 21, 395502 (2009).
#  Theoretical design of coupled organic-inorganic systems, G. Mattioli, F. Filippone, P. Giannozzi, R. Caminiti, and A. Amore Bonapasta,  Phys. Rev. Lett. 101, 126805(2008)  (pdf file).
# SixC1-xO2 alloys: A possible route to stabilize carbon-based silica-like solids?, Assa Aravindh et al., Solid State Commun. 144, 273-276 (2007) (pdf file).
# Electron correlation effects on the hydrogen passivation of MnxGa1-xAs dilute magnetic semiconductors, A. Amore Bonapasta, F. Filippone, and P. Giannozzi, Phys. Rev. B 72, R121202 (2005)
#  Structure and passivation effects of mono- and di-hydrogen complexes in GaAsyN1-y alloys, A. Amore Bonapasta, F. Filippone, P. Giannozzi, M. Capizzi, and A. Polimeni,  Phys. Rev. Lett. 89, 216401 (2002).
# Phonons and related crystal properties from density-functional perturbation theory, S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001). (pdf file)
# Reconstruction of the All-Electron Wavefunction from a Pseudo-Wavefunction, B. Hetényi, F. de Angelis, P. Giannozzi, and R. Car, J. Chem. Phys. 115, 5791 (2001).
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chzhwxy

木虫 (著名写手)
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
wuli8(金币+10):感谢 2010-06-16 16:39:42
【老师姓名】：李京波
【主页地址】：http://sourcedb.semi.cas.cn/zw/r ... 090730_2285714.html
【目前单位】：中国科学院半导体研究所

【简介】： 李京波研究员，博士生导师（2007年入选中科院“百人计划”，2009年获“国家杰出青年基金”）。2001年毕业于中国科学院半导体研究所，获得理学博士学位。2001年至2004年，在美国伯克利劳伦斯国家实验室做博士后；2004年至2007年，美国再生能源国家实验室助理研究员；2007年5月，入选中国科学院“百人计划”，同时进入半导体超晶格国家重点实验室工作，从事半导体掺杂机制和纳米材料的研究。在半导体掺杂机制和纳米材料等前沿领域中取得的一系列创新性研究成果：(1)发表了50余篇论文（“Nature”一篇，“Nature Material”一篇，“PRL”六篇，“Nano Letters”四篇，“JACS”二篇，“APL”九篇，“PRB”十八篇），对半导体光电子的设计有重要的指导作用。(2)首次从理论上研究了形状对纳米团簇电子态的影响，并且对相关的实验进行了解释。(3)与合作者提出了Charge Patching方法，实现了上万原子的第一性原理精度计算，该方法特别适用于大原胞的半导体合金和纳米团簇的大规模计算。(4)对半导体掺杂机制有深入的研究，提出ZnO等实现p-型掺杂的实验模型，并用第一性原理进行计算，获得国际同行的广泛关注。(5)首次研究了量子点中杂质的稳定性, 预言在硅掺杂的GaAs量子点中，如量子点的尺寸小于14纳米，将出现DX深能级中心。(6)首次预言了CdS量子点比CdSe量子点更容易观察到“暗激子现象”，该预言被美国P.F.Barbara教授的实验小组所证实。论文已经被国际同行高度评价和大量引用，至今已被引用1400余次（他引1100余次）。2006年11月和2007年3月分别在美国波士顿的美国材料学会（MRS）年会和美国奥兰多的美国金属学会（TMS）年会上作会议的邀请报告。2008年9月2日《科技日报》第十版以《李京波：半导体照明学科带头人》为题报道了李京波研究员的最新研究进展。2009年3月17日《自然》（亚洲材料）报道了李京波小组在光催化材料研究中取得的重要进展。2009年作为首席科学家获863计划重点项目“高效氮化物LED材料及芯片关键技术”（1000万元）。2009年获国家杰出青年基金（信息学部）。

E-mail地址:jbli@semi.ac.cn

办公室：2号楼308室，电话：010-82304982

【完成/在研主要项目】

1.       中国科学院“百人计划”启动基金 (2007年，70万元)。

2.       中科院重大项目“ZnO宽禁带半导体材料的掺杂特性理论研究”（2006年至2009年，30万元）。

3.       中科院半导体所三期创新方向性重大项目“与固态照明相关物理和器件的研究”（2007年至2009年，160万元）。

4.       中国科学院“百人计划”（2008年至2011年，200万元）。

5.       国家杰出青年基金（2009年至2012年，200万元）。

6.       863计划新材料领域2008年重点项目(首席专家)—“高效氮化物LED材料及芯片关键技术”，（2009年至2011年，1000万元）。

【代表性论著】

1)        “Origin and enhancement of hole-induced ferromagnetism in first-row d0 semiconductors”, H. W. Peng, H. J. Xiang, S. H. Wei*, S. S. Li, J. B. Xia, and Jingbo Li*, Phys. Rev. Lett. 102, 017201 (2009).

2)        “Design of narrow-gap TiO2 for enhanced photoelectrochecmical activity: A passivated codoping approach”, Y. Q. Gai, Jingbo Li*, S. S. Li, J. B. Xia, and S. H. Wei*, Phys. Rev. Lett. 102, 036402 (2009).

3)        “Effect of Copassivation of Cl and Cu on CdTe Grain Boundaries”, L. X. Zhang, J. L. F Da Sliva, Jingbo Li, Y. Yan, T. A. Gessert, and S. H. Wei*, Phys. Rev. Lett. 101, 155501 (2008).

4)        “Mutual Passivation of Donors and Isovalent Nitrogen in GaAs”, Jingbo Li, P. Carrier, Su-Huai Wei, Shu-Shen Li and Jian-Bai Xia, Phys. Rev. Lett. 96, 035505 (2006).

5)        “Stability of DX center in GaAs Quantum Dots”, Jingbo Li, Su-Huai Wei, Lin-Wang Wang,      Phys. Rev. Lett. 94, 185501 (2005).

6)        “Band-structure-correlated local density approximation study of semiconductor quantum dots and wires”, Jingbo Li and Lin-Wang Wang, Phys. Rev. B, 72, 125325 (2005).

7)        “Colloidal nanocrystal heterostructures with linear and branched topology”, D.J.Milliron, S.M.Hughes, Yi Cui, L.Manna, Jingbo Li, L.W.Wang and A. P. Alivisatos, Nature, 430, 190 (2004).

8)        “First principle study of core/shell quantum dots”, Jingbo Li and L.W. Wang, Appl. Phys. Lett. 84, 3648 (2004). Highlight: Figure 2 is the cover story of APL 3 May 2004 issue.

9)        “Electronic Structure of InP Quantum Rods: Differences between Wurzite, Zinc Blende, and Different Orientations”, Jingbo Li and L.W. Wang, Nano Letters, 4, 29 (2004).

10)     “Two-versus three-dimensional quantum confinement in indium phosphide wires and dots”, H.Yu, Jingbo Li, R. A. Loomis, L.W. Wang and W.E. Buhro, Nature Materials, 2, 517(2003).

11)     “Shape Effects on Electronic States of Nanocrystals”, Jingbo Li, and L.W. Wang, Nano Letters, 3, 1357 (2003).

12)     “High Energy Excitations in CdSe Quantum Rods”, Jingbo Li, and L.W. Wang, Nano Letters, 3, 101 (2003).
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28楼2010-06-16 12:33:14
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chenzhao6239

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wuli8(金币+5):感谢 2010-06-19 17:31:57
【老师姓名】曾雉
【主页地址】http://hf.cas.cn/sbpy/yjsb/zyhds ... 091204_2682207.html
【目前单位】中国科学院合肥固体物理研究所
【发表文章】H. Hao, X. H. Zheng, Z. X. Dai and Z. Zeng; Spin-filtering transport and switching effect of MnCu single-molecule magnet, Appl. Phys. Lett 96，192112 (2010)

G. R. Zhang, X. L. Zhang, T. Jia, Z. Zeng,and H. Q. Lin, Intrachain antiferromagnetic interaction and Mott state induced by spin-orbit coupling in Sr3NiIrO6 , JOURNAL OF APPLIED PHYSICS, 107, 09E120 (2010)

Meiyan Ni, Liangfeng Huang, L. J. Guo and Zhi Zeng, Hydrogen storage in Li-doped charged single-walled carbon nanotubes, Int. J. Hydrogen Energy 35, 3546 (2010)

Chun-Sheng Liu, and Z. Zeng; Boron-tuned bonding mechanism of Li-graphene complex for reversible hydrogen storage, Appl. Phys. Lett. 96,123101 (2010).

X. H. Zheng, X. L. Wang, T. A. Abtew, and Z. Zeng; Building Half-Metallicity in Graphene Nanoribbons by Direct Control over Edge States Occupation, J. Phys. Chem. C 114, 4190–4193 (2010)

Y.H. Zhou, Z. Zeng, X. Ju, The structural and electronic properties of CumAgn (m+n=6) clusters, Microelectronics Journal 40 (2009) 832–834

X. H. Zheng, I. Rungger, Z. Zeng and S. Sanvito; Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons, Phys. Rev. B 80, 235426 (2009)

G. R. Zhang  and Z. Zeng，New methods for enhancing ZT value of nanowires,  Journal of Physics: Conference Series, 193, 193 (2009) 012110

Li Yan-Ling，Zhong Guo-Hua，and Zeng Zhi, All-electron study of ultra-incompressible superhard material ReB2, structural and electronic properties, Chinese Physics B,18,4437-4442(2009)

X.L. Wang, M.Y. Ni , Z.Zeng and H.Q.Lin, Effects of hydrogen impurities on Ge1−xMnx semiconductors, Europhysics letters  87,47001(2009)

C.S.Liu, Y.L. Li, Y. Xu, X.L.Wang, and Z. Zeng, Theoretical investigations of  LaOFePn(Pn=P, As and Sb), Physica B,404,3242(2009)

X. H. Zheng, R. N. Wang, L. L. Song, Z. X. Dai, X. L. Wang, and Z. Zeng, Impurity induced spin filtering in graphene nanoribbons, Appl. Phys. Lett. 95, 123109 (2009)

M.Y. Ni, X.L. Wang, and Z. Zeng, Interaction of hydrogen molecules on Ni-doped single-walled carbon nanotube, Chinese Physics B 18, 357 (2009)

M.Y. Ni, and Z. Zeng, First-principles study of metal atom adsorption on the boron-doped carbon nanotubes, Microelectronics Journal 40, 863(2009)

M.Y. Ni, and Z. Zeng, Density functional study of hydrogen adsorption and dissociation on small Pdn(n=1-7) cluster, Journal of Molecular Structure – Theochem 910, 14 (2009)

X. H. Zheng, Z. X. Dai and Z. Zeng, The size effects of electrodes in molecular devices: an ab initio study on the transport properties of C60, J. Phys.: Cond. Matt, 21 145502(2009).

X.H. Zheng, G.R. Zhang, Z. Zeng, Victor M. Garcia-Suarez, and Colin J. Lambert, Effects of antidots on the transport properties of graphene nanoribbons, Phys. Rev. B 80, 075413 (2009) .
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29楼2010-06-19 16:40:28
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