Elastic quantum transport calculations using auxiliary periodic boundary conditions

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 4, 2005, Pages

  Wang, Lin Wang ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749233592     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.045417     Document Type: Article

References (30)

1. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.245407 63, 245407 (2001);
2. P. Damle, A. Ghosh, and S. Datta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.201403 64, 201403 (R) (2001);
3. M. B. Nardelli, J.-L. Fattebert, and J. Bernholc, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.245423 64, 245423 (2001);
4. E. Louis, J. A. Verges, J. J. Palacios, A. J. Perez-Jimenez, and E. SanFabian, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.155321 67, 155321 (2003).
5. K. Hirose and M. Tsukada, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.5278 51, 5278 (1994).
6. H. J. Choi and J. Ihm, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59. 2267 59, 2267 (1999).
7. D. Z.-Y. Ting, E. T. Yu, and T. C. McGill, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.3583 45, 3583 (1992).
8. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.979 84, 979 (2000);
9. M. Di Ventra and N. D. Lang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.045402 65, 045402 (2001).
10. M. A. Reed, Science SCIEAS 0036-8075 10.1126/science.278.5336.252 278, 252 (1997).
11. P. W. Chiu, M. Kaempgen, and S. Roth, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.246802 92, 246802 (2004).
12. A. Calzolari, N. Marzari, I. Souza, and M. B. Nardelli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.035108 69, 035108 (2004).
13. C. Roland, V. Meunier, B. Larade, and H. Guo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.035332 66, 035332 (2002).
14. M. Brandbyge, J. L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002).
15. http://hpcrd.lbl.gov/linwang/PEtot/PEtot.html.
16. A. McCann and J. S. Brown, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(94)91243-2 194, 44 (1988).
17. N. D. Lang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.5335 52, 5335 (1995).
18. N. Kobayashi, M. Brandbyge, and M. Tsukada, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.8430 62, 8430 (2000).
19. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
20. X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.10337 55, 10337 (1997).
21. E. Anderson, LAPACK User's Guide, Third Edition (SIAM, Philadelphia, 1999).
22. W. D. Sheng and J.-B. Xia, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.364214 81, 734 (1997).
23. P. S. Krstic, X.-G. Zhang, and W. H. Butler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.205319 66, 205319 (2002).
24. Y. C. Chang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.25.605 25, 605 (1982).
25. D. L. Smith and C. Mailhiot, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.62.173 62, 173 (1990).
26. J. Neaton and S. G. Louie (private communication).
27. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.126673 76, 3448 (2000).
28. J. Nara, W. T. Geng, H. Kino, and N. Kobayashi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1783251 121, 6485 (2004).
29. S.-H. Ke, H. U. Baranger, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 122, 74704 (2005).
30. M. H. Hettler, W. Wenzel, M. R. Wegewijs, and H. Schoeller, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.076805 90, 076805 (2003).