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Rosen-luo铜虫 (初入文坛)
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SCI上能查到的引用过ATK的文章（2008年数据）1
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1 Y. Min, K. L. Yao, Z. L. Liu, H. G. Cheng, S. C. Zhu, and G. Y. Gao, "CrAs(001)/AlAs(001) heterogeneous junction as a spin current diode predicted by first-principles calculations," Journal of Magnetism and Magnetic Materials 321 (4), 312-315 (2009). 2 M. Zwierzycki, P. A. Khomyakov, A. A. Starikov, K. Xia, M. Talanana, P. X. Xu, V. M. Karpan, I. Marushchenko, I. Turek, G. E. W. Bauer, G. Brocks, and P. J. Kelly, "Calculating scattering matrices by wave function matching," Physica Status Solidi B-Basic Solid State Physics 245 (4), 623-640 (2008). 3 Y. H. Zhou, X. H. Zheng, Y. Xu, and Z. Y. Zeng, "First-principles study on the differences between the equilibrium conductance of carbon and silicon atomic wires," Journal of Physics-Condensed Matter 20 (4), 6 (2008). 4 L. P. Zhou, S. W. Yang, M. F. Ng, M. B. Sullivan, V. B. C. Tan, and L. Shen, "One-dimensional iron-cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high-spin filter efficiency properties," Journal of the American Chemical Society 130 (12), 4023-4027 (2008). 5 Y. D. Zheng, H. Mizuta, and S. Oda, "Theoretical study of nonequilibrium electron transport and charge distribution in a three-site quantum wire," Japanese Journal of Applied Physics 47 (1), 371-382 (2008). 6 J. M. Zheng, Z. Y. Ren, P. Guo, J. S. Tian, and J. T. Bai, "Effects of contact geometry on electron transport of 1,4-diaminobenzene," Chinese Physics Letters 25 (4), 1423-1426 (2008). 7 Z. Zhao and B. D. Dunietz, "Ab initio study of charge transport of hydrogen functionalized palladium wires," Journal of Chemical Physics 129 (2), 7 (2008). 8 P. Zhao, D. S. Liu, and S. J. Xie, "Ab initio investigation of the I-V characteristics of the phenoxynaphthacenequinone-based optical molecular switch," Physics Letters A 372 (36), 5811-5815 (2008). 9 P. Zhao, C. F. Fang, C. J. Xia, Y. M. Wang, D. S. Liu, and S. J. Xie, "A possible anthracene-based optical molecular switch driven by a reversible photodimerization reaction," Applied Physics Letters 93 (1), 3 (2008). 10 P. Zhao, C. F. Fang, C. J. Xia, Y. M. Wang, K. Gao, D. S. Liu, and S. H. Xie, "F-substituent on the photoswitchable performance of diarylethenes," Acta Physica Sinica 57 (6), 3747-3752 (2008). 11 P. Zhao, C. F. Fang, C. J. Xia, D. S. Liu, and S. J. Xie, "15,16-dinitrile DDP/CPD as a possible solid-state optical molecular switch," Chemical Physics Letters 453 (1-3), 62-67 (2008). 12 M. Zhang, Q. S. Ran, X. M. Guan, J. Y. Zhang, Y. Wang, Z. P. Yu, and Ieee, presented at the International Conference on Simulation of Semiconductor Processes and Devices, Hakone, JAPAN, 2008 (unpublished). 13 K. Yoshizawa, T. Tada, and A. Staykov, "Orbital views of the electron transport in molecular devices," Journal of the American Chemical Society 130 (29), 9406-9413 (2008). 14 K. L. Yao, Y. Min, Z. L. Liu, H. G. Cheng, S. C. Zhu, and G. Y. Gao, "First-principles study of transport of V doped boron nitride nanotube," Physics Letters A 372 (34), 5609-5613 (2008). 15 T. Yang, S. Berber, and D. Tomanek, "Compositional ordering and quantum transport in Mo6S9-xIx nanowires: Ab initio calculations," Physical Review B 77 (16), 7 (2008). 16 Y. Xu, L. L. Zhou, and Z. X. Dai, "First-principles electronic transport properties study of small carbon clusters: Cyclic C-6," Physics Letters A 372 (24), 4465-4468 (2008). 17 C. J. Xia, C. F. Fang, G. C. Hu, D. M. Li, D. S. Liu, S. J. Xie, and M. W. Zhao, "Effect of side groups on the electronic transport properties of molecular devices," Acta Physica Sinica 57 (5), 3148-3154 (2008). 18 J. Wei, H. Hu, H. Zeng, Z. Zhou, W. Yang, and P. Peng, "Effects of nitrogen substitutional doping on the electronic transport of carbon nanotube," Physica E-Low-Dimensional Systems & Nanostructures 40 (3), 462-466 (2008). 19 Z. C. Wang, T. K. Gu, T. Tada, and S. Watanabe, "Excess-silver-induced bridge formation in a silver sulfide atomic switch," Applied Physics Letters 93 (15), 3 (2008). 20 M. H. Tsai, T. H. Lu, and Y. H. Tang, "The electronic and transport properties of a molecular junction studied by an integrated piecewise thermal equilibrium approach," Journal of Applied Physics 104 (4), 8 (2008). 21 C. Toher and S. Sanvito, "Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions," Physical Review B 77 (15), 12 (2008). 22 K. S. Thygesen and A. Rubio, "Conserving GW scheme for nonequilibrium quantum transport in molecular contacts," Physical Review B 77 (11), 22 (2008). 23 K. S. Thygesen, "Impact of exchange-correlation effects on the IV characteristics of a molecular junction," Physical Review Letters 100 (16), 4 (2008). 24 K. Tao, V. S. Stepanyuk, P. Bruno, D. I. Bazhanov, V. V. Maslyuk, M. Brandbyge, and I. Mertig, "Manipulating magnetism and conductance of an adatom-molecule junction on a metal surface: An ab initio study," Physical Review B 78 (1), 4 (2008). 25 V. Sverdlov, E. Ungersboeck, H. Kosina, and S. Selberherr, "Current transport models for nanoscale semiconductor devices," Materials Science & Engineering R-Reports 58 (6), 228-270 (2008). 26 M. Strange, I. S. Kristensen, K. S. Thygesen, and K. W. Jacobsen, "Benchmark density functional theory calculations for nanoscale conductance," Journal of Chemical Physics 128 (11), 8 (2008). 27 R. Stadler, V. Geskin, and J. Cornil, "A theoretical study of substitution effects in unimolecular rectifiers," Advanced Functional Materials 18 (7), 1119-1130 (2008). 28 R. Stadler, V. Geskin, and J. Cornil, "A theoretical view of unimolecular rectification," Journal of Physics-Condensed Matter 20 (37), 10 (2008). 29 R. Stadler, V. Geskin, and J. Cornil, "Towards a theoretical description of molecular junctions in the Coulomb blockade regime based on density functional theory," Physical Review B 78 (11), 4 (2008). 30 D. Soriano, D. Jacob, and J. J. Palacios, "Localized basis sets for unbound electrons in nanoelectronics," Journal of Chemical Physics 128 (7), 5 (2008). 31 H. H. B. Sorensen, P. C. Hansen, D. E. Petersen, S. Skelboe, and K. Stokbro, "Krylov subspace method for evaluating the self-energy matrices in electron transport calculations," Physical Review B 77 (15), 12 (2008). 32 J. X. Song, Y. T. Yang, C. C. Chai, H. X. Liu, and R. X. Ding, "Electronic transport properties of (7,0) semiconducting carbon nanotube," Chinese Physics Letters 25 (9), 3212-3214 (2008). 33 G. C. Solomon, D. Q. Andrews, T. Hansen, R. H. Goldsmith, M. R. Wasielewski, R. P. Van Duyne, and M. A. Ratner, "Understanding quantum interference in coherent molecular conduction," Journal of Chemical Physics 129 (5), 8 (2008). 34 H. Shinaoka, T. Hoshi, and T. Fujiwara, "Ill-Contact Effects of d-Orbital Channels in Nanometer-Scale Conductor," Journal of the Physical Society of Japan 77 (11), 7 (2008). 35 T. Shimazaki and Y. Asai, "Bias voltage dependence on the vibronic electric current," Physical Review B 77 (7), 14 (2008). 36 T. Shimazaki and Y. Asai, "Theoretical study of the lineshape of inelastic electron tunneling spectroscopy," Physical Review B 77 (11), 10 (2008). 37 S. Sen and S. Chakrabarti, "Ab initio density functional study on negative differential resistance in a fused furan trimer," Journal of Physical Chemistry C 112 (5), 1685-1693 (2008). 38 P. Schmitteckert and F. Evers, "Exact ground state density-functional theory for impurity models coupled to external reservoirs and transport calculations," Physical Review Letters 100 (8), 4 (2008). 39 K. K. Saha, J. Henk, A. Ernst, and P. Bruno, "Multiple-scattering theoretical approach to scanning tunneling microscopy," Physical Review B 77 (8), 12 (2008). 40 I. Rungger and S. Sanvito, "Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition," Physical Review B 78 (3), 13 (2008). 41 A. R. Rocha, M. Rossi, A. Fazzio, and A. J. R. da Silva, "Designing real nanotube-based gas sensors," Physical Review Letters 100 (17), 4 (2008). 42 F. J. Ribeiro, W. C. Lu, and J. Bernholc, "Doping-dependent negative differential resistance in hybrid organic/inorganic Si-porphyrin-Si junctions," Acs Nano 2 (8), 1517-1522 (2008). 43 J. M. C. Rauba, M. Strange, and K. S. Thygesen, "Quantum conductance of 4,4-bipyridine molecular junctions: Role of electrode work function and local d band," Physical Review B 78 (16), 5 (2008). 44 Z. K. Qian, S. M. Hou, R. Li, Z. Y. Shen, X. Y. Zhao, and Z. Q. Xue, "A fast matrix inverse algorithm for the NEGF plus DFT approach with localized basis functions," Journal of Computational and Theoretical Nanoscience 5 (4), 671-676 (2008). 45 A. Prociuk and B. D. Dunietz, "Modeling time-dependent current through electronic open channels using a mixed time-frequency solution to the electronic equations of motion," Physical Review B 78 (16), 16 (2008). 46 M. Pourfath and H. Kosina, "Formalism application of the non-equilibrium Green's function for the numerical analysis of carbon nanotube FETs," Journal of Computational and Theoretical Nanoscience 5 (6), 1128-1137 (2008). 47 R. B. Pontes, E. Z. da Silva, A. Fazzio, and A. J. R. Silva, "Symmetry controlled spin polarized conductance in Au nanowires," Journal of the American Chemical Society 130 (30), 9897-9903 (2008). 48 D. E. Petersen, H. H. B. Sorensen, P. C. Hansen, S. Skelboe, and K. Stokbro, "Block tridiagonal matrix inversion and fast transmission calculations," Journal of Computational Physics 227 (6), 3174-3190 (2008). 49 X. M. Niu and Y. H. Qi, "First-principles study of the electronic structure and transport properties of the CO molecular contact," Acta Chimica Sinica 66 (6), 652-656 (2008). 50 X. M. Niu and Y. H. Qi, "Theoretical study of the electron transport in the molecular contact," Acta Physica Sinica 57 (11), 6926-6931 (2008). 受发贴大小限制，后面还有…… |
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Rosen-luo
铜虫 (初入文坛)
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2楼2008-12-24 15:16:42