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[交流] 【其他】征集第一性原理计算方面牛人的主页【活动结束】 已有44人参与

目前做第一性原理计算方面牛人很多。
为了方便交流他们很多人都有自己的主页,但是这些主页很分散不好找。所以我们在此征集这方面的主页以方便大家。这也是给这些老师做免费广告的机会(提高引用率的机会)。请大家积极参与!

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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 2010-06-15 13:23:31
【老师姓名】:龚新高
【主页地址】:http://www.physics.fudan.edu.cn/tps/people/xggong/xggong.php
【目前单位】:复旦大学
【发表文章】:
ShiYou Chen,X.G. Gong,A. Walsh,S.H. Wei,Crystal and electronic band structure of Cu2ZnSnX4(X=S and Se)photovoltaic absorbers:First-principles insights,Applied Physics Letters,94(4):Art.No. 041903 Jan. 26 2009

Shiyou Chen,X.G. Gong,and Su-Huai Wei,Superhard pseudocubic BC2N superlattices,Physical Review Letters,98,015502(2007)

J.X. Cao,X.G. Gong,J.X. Zhou,R.Q. Wu,Sharp corners in the cross section of ultrathin Si Nanowires,Physical Review letters,97(13),136015(2006)

Q. Li,K.M. Koo,W.M. Lau,P.F. Lee,J.Y. Dai,Z.F. Hou,X.G. Gong,Effects of Al addition on the native defects in hafnia,Applied Physics Letters 88(18),182903(2006)

Y.H. Li,X.G. Gong,Su-Huai Wei, Ab initio calculation of hydrostatic absolute deformation potential of semiconductors,Applied Physical Letters 88(4),042104(2006)

L. Huang,F. Liu,G.H. Lu,X.G. Gong,Surface mobility difference between Si and Ge and its effect on growth of SiGe alloy films and islands,Physical Review Letters 96(1),016103(2006)

X.H. Zhang,Z.F. Liu,X.G. Gong,Comment on Collapse of single-wall carbon nanotubes is diameter dependent" Physical Review Letters 93(14),149601(2004)
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15楼2010-06-15 13:16:45
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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 13:45:31
【老师姓名】:杨金龙
【主页地址】:http://staff.ustc.edu.cn/~jlyang/
【目前单位】:中国科学技术大学、合肥微尺度物质科学国家实验室
【发表文章】:http://staff.ustc.edu.cn/~jlyang/
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16楼2010-06-15 13:26:10
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wuli8(金币+10):感谢分享 2010-06-15 13:46:10
【老师姓名】:吕广宏
【主页地址】:http://compuphys.buaa.edu.cn/n208c67.aspx
【目前单位】:北京航空航天大学理学院物理系
【发表文章】:http://compuphys.buaa.edu.cn/c69.aspx
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19楼2010-06-15 13:39:24
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wuli8(金币+10):感谢分享 2010-06-15 13:48:20
【老师姓名】:赵明文
【主页地址】:http://www.phym.sdu.edu.cn/staff/staff.php?id=48
【目前单位】:山东大学物理系
【发表文章】:
1. Covalent-adsorption induced magnetism in graphene, Weifeng Li, Mingwen Zhao*, Yueyuan Xia, Ruiqin Zhang and Yuguang Mu, J. Mater. Chem. 19, 9274 (2009).
2. Energetic Minimum Structures of Imogolite Nanotubes: A First-Principles Prediction, Mingwen Zhao*, Yueyuan Xia, Liangmo Mei, J. Phys. Chem. C 113, 14834 (2009).
3. Layered Titanium Oxide Nanosheet and Ultrathin Nanotubes: A First-Principles Prediction,Tao He, Mingwen Zhao*, Xuejuan Zhang, Hongyu Zhang, Zhenhai Wang, Zexiao Xi, Xiangdong Liu, Shishen Yan, Yueyuan Xia, and Liangmo Mei, J. Phys. Chem. C 113, 13610 (2009).
4. Orientation-Dependent Stability and Quantum-Confinement Effects of Silicon Carbide Nanowires, Zhenhai Wang, Mingwen Zhao*, Tao He, Hongyu Zhang, Xuejuan Zhang, Zexiao Xi, Shishen Yan, Xiangdong Liu, and Yueyuan Xia, J. Phys. Chem. C 113, 12731 (2009)
5. First-Principles Study of Faceted Single-Crystalline Silicon Carbide Nanowires and Nanotubes, Zhenhai Wang, Mingwen Zhao*, Tao He, Xuejuan Zhang, Zexiao Xi, Shishen Yan, Xiangdong Liu and Yueyuan Xia, J. Phys. Chem. C 113, 856 (2009).
6. Tunable Magnetism in Carbon Ion-Implanted Highly Oriented Pyrolytic Graphite, Huihao Xia*, Weifeng Li, You Song, Xinmei Yang , Xiangdong Liu, Mingwen Zhao*, Yueyuan Xia, Chen Song, Tian-Wei Wang,Dezhang Zhu, Jinlong Gong, and Zhiyuan Zhu, Adv. Mater. 20, 4679 (2008)
7. Ab Initio Calculations on the Magnetic Properties of Hydrogenated Boron Nitride Nanotubes, Feng Li, Zhonghua Zhu, Mingwen Zhao, and Yueyuan Xia, J. Phys. Chem. C, 112, 16231(2008).
8. Theoretical Models of Silica Nanorings: First-Principles Calculations, Zexiao Xi, Mingwen Zhao,* Ruiqin Zhang, Shishen Yan, Tao He, Weifeng Li, Xuejuan Zhang, Xiaohang Lin, Zhenhai Wang, Xiangdong Liu, and Yueyuan Xia, J. Phys. Chem. C 112 , 17071(2008).
9. First-principles study of ZnS nanostructures: nanotubes, nanowires and nanosheets, Xuejuan Zhang, Mingwen Zhao*, Shishen Yan, Tao He, Weifeng Li, Xiaohang Lin, Zexiao Xi, Zhenhai Wang, Xiangdong Liu and Yueyuan Xia, Nanotechnology 19, 305708 (2008)
10. From pure C60 to silicon carbon fullerene-based nanotube: An ab initio study, Jiling Li, Yueyuan Xia, Mingwen Zhao, Xiangdong Liu, Chen Song, Lijuan Li, and Feng Li, J. Chem. Phys. 128, 154719 (2008)
11. The electronic structure of a single-walled aluminosilicate nanotubes, Lijuan Li, Yueyuan Xia, Mingwen Zhao, Chen Song, Jiling Li and Xiangdong Liu, Nanotechnology 19,175702(2008).
12. First-principles study of Co-doped single-walled silicon nanotubes, Tao He, Mingwen Zhao*,Weifeng Li, Xiaohang Lin, Xuejuan Zhang, Xiangdong Liu, Yueyuan Xia and Liangmo Mei, Nanotechnology 19 205707 (2008).
13. Theoretical Insight into Faceted ZnS Nanowires and Nanotubes from Interatomic Potential and First-Principles Calculations, LijuanLi, Mingwen Zhao*, Xuejuan Zhang, Zhonghua Zhu, Feng Li, Jiling Li, Chen Song, Xiangdong Liu, Yueyuan Xia, J. Phys. Chem. C.112, 3509-3514 (2008)
14. Geometric and Electronic Structures of Hydrogen-Stabilized Silicon Nitride Nanosheets and Nanotubes, Tao He, Mingwen Zhao*, Weifeng Li, Chen Song, Xianghang Lin, Xiangdong Liu, Yueyuan Xia, and Liangmo Mei, , J. Phys. Chem. C.111, 16840 (2007).
15. First-Principles Design of Well-Ordered Silica Nanotubes from Silica Monolayers and Nanorings, Mingwen Zhao*, Z. H. Zhu, J. D. Gale, Yueyuan Xia, and G. Q. Lu, J. Phys. Chem. C 111, 9652 (2007).
16. Stabilizing Zigzag Single-Walled Silicon Nanotubes and Tailoring the Electronic Structures by Oxygen Atoms: First-Principles Studies, Mingwen Zhao*, John Zhonghua Zhu, Yueyuan Xia, Max Lu, J. Phys. Chem. C 111, 2942 (2007).
17. Faceted Silicon Nanotubes: Structure, Energetic and Passivation effects, Mingwen Zhao*, R. Q. Zhang, Yueyuan Xia, Chen Song, and S. -T. Lee, J. Phys. Chem. C 111, 1234 (2007)
18. Silver-filled single-walled carbon nanotubes: Atomic and electronic structures from first-principles calculations, Weifeng Li, Mingwen Zhao*, Yueyuan Xia , Tao He, Chen Song, Xiaohang Lin, Xiangdong Liu, Liangmio Mei , Phys. Rev. B 74, 195421 (2006).
19. Tuning the electronic structures of semiconducting SiC nanotubes by N and NHx (x=1,2) groups ,Tao He, Mingwen Zhao, Yueyuan Xia , Weifeng Li,, Chen Song, Xiaohang Lin, Xiangdong Liu, Liangmio Mei , J. Chem. Phys. 125, 194710 (2006).
20. Structural characterization of fully coordinated ultrathin silica nanotubes by first-principles calculations, Mingwen Zhao, R. Q. Zhang, S. T. Lee, Phys. Rev. B 73, 195412 (2006).
21. First-principles calculations of AlN nanowires and nanotubes: Atomic structures, energetics, and surface states , Mingwen Zhao, Yueyuan Xia, Xiangdong Liu, Zhenyu Tan, Boda Huang, Chen Song, Liangmo Mei, J. Phys. Chem. B 110, 8764 (2006).
22. Self-assembly of base-functionalized carbon nanotubes, Chen Song, Yueyuan Xia, Mingwen Zhao, Xiangdong Liu, Boda Huang, Feng Li, Yanju Ji, Phys. Rev. B 72, 165430 (2005).
23. Manipulating the electronic structures of silicon carbide nanotubes by selected hydrogenation, Mingwen Zhao, Yueyuan Xia, R. Q. Zhang, S. T. Lee, J. Chem. Phys. 122, 214707 (2005).
24. Diffusion and condensation of lithium atoms in single-walled carbon nanotubes, Mingwen Zhao, Yuayuan Xia, Liangmo Mei, Phys. Rev. B 71, 165413 (2005)
25. Enhancement of hydrogen physisorption on single-walled carbon nanotubes resulting from defects created by carbon bombardment, Yueyuan Xia, John Zhonghua Zhu, Mingwen Zhao, Feng Li, Boda Huang, Yanju Ji, Xiangdong Liu, Zhenyu Tan, Chen Song, Yanyan Yin, Phys. Rev. B 71, 075412 (2005).
26. Strain energy and electronic structures of silicon carbide nanotubes: Density functional calculations, Mingwen Zhao, Yueyuan Xia, Feng Li, R. Q. Zhang, S. T. Lee, Phys. Rev. B 71, 085312 (2005).
27. Distribution patterns and controllable transport of water inside and outside charged single-walled carbon nanotubes, Boda Huang, Yueyuan Xia, Mingwen Zhao, Feng Li, Xiangdong Liu, Yanju Ji, Chen Song, J .Chem. Phys. 122, 084708 (2005).
28. Stable tetrahedral structure of the silica cluster (SiO2)(10), M. W. Zhao, R. Q. Zhang, S. T. Lee, Phys. Rev. B 70, 205404 (2004).
29. Two- and three-membered-ring hybrid structures of silica nanoclusters, Dongju Zhang, Mingwen Zhao, R. Q. Zhang, J. Phys. Chem. B 108, 18451 (2004).
30. CSilicon monoxide clusters: The favorable precursors for forming silicon nanostructures, R.Q. Zhang, M.W. Zhao, S. T. Lee, Phys. Rev. Lett. 93, 095503 (2004).
31. Chemical reactivity of single-walled carbon nanotubes to amidogen from density functional calculations, Mingwen Zhao, Yueyuan Xia, J. P. Lewis, Liangmo Mei, J. Phys. Chem. B 108, 9599 (2004)
32. Stable and extendable cage containing nanosize silica clusters based on three-membered rings, M. W. Zhao, R. Q. Zhang, S. T. Lee, Phys. Rev. B 69, 153403 (2004)
33. Selectable functionalization of single-walled carbon nanotubes resulting from CHn (n=1-3) adsorption, Feng Li, Yueyuan Xia, Mingwen Zhao, Xiangdong Liu, Boda Huang, Zhenyu Tan, Yanju Ji , Phys. Rev. B 69, 165415 (2004).
34. Recombination and exchange reactions of hydrogen and dihydrogen molecular condensation in single-walled carbon nanotubes, Yueyuan Xia, Mingwen Zhao, Feng Li, Boda Huang, Zhenyu Tan, Xiangdong Liu, Yanju Ji, Liangmo Mei , J. Phys. Chem. B 108, 4711 (2004).
35. Stability and electronic structure of AlN nanotubes, Mingwen Zhao, Yueyuan Xia, Dongju Zhang, Liangmo Mei, Phys. Rev. B 68, 235415 (2003).
36. Condensation and phase transition of hydrogen molecules confined in single-walled carbon nanotubes, Yueyuan Xia, Mingwen Zhao, Yuchen Ma, Xiangdong Liu, Minju Ying, Liangmo Mei, Phys. Rev. B 67, 115117 (2003).
37. Exohedral and endohedral adsorption of nitrogen on the sidewall of single-walled carbon nanotubes, Mingwen Zhao, Yueyuan Xia, Yuchen Ma, Minju Ying, Xiangdong Liu, Liangmo Mei, Phys. Rev. B 66, 155403 (2002).
38. Tensile strength of single-walled carbon nanotubes with defects under hydrostatic pressure, Yueyuan Xia, Mingwen Zhao, Yuchen Ma, Minju Ying, Xiangdong Liu, Pijun Liu, Liangmo Mei, Phys. Rev. B 65, 155415 (2002).
39. Hydrogen storage capacity in single-walled carbon nanotubes, Yuchen Ma, Yueyuan Xia, Mingwen Zhao, Minju Ying, Phys. Rev. B 65, 155430 (2002).
40. Effective hydrogen storage in single-wall carbon nanotubes, Yuchen Ma, Yueyuan Xia, Mingwen Zhao, Rujin Wang, Liangmo Me, , Phys. Rev. B 63, 115422 (2001).
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20楼2010-06-15 13:44:53
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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).
博学、审问、慎思、明辨、笃学
22楼2010-06-15 13:56:51
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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)。
博学、审问、慎思、明辨、笃学
23楼2010-06-15 14:02:27
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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 14:39:58
【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).
博学、审问、慎思、明辨、笃学
24楼2010-06-15 14:12:36
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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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Originally posted by wuli8 at 2010-12-22 12:34:24:
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