Real-space pseudopotential method for spin-orbit coupling within density functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 15, 2007, Pages

  Naveh, Doron ^a   Kronik, Leeor ^a   Tiago, Murilo L ^b   Chelikowsky, James R ^b  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 35649012837     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.153407     Document Type: Article

References (33)

1. P. Strange, Relativistic Quantum Mechanics (Cambridge University Press, New York, 1998).
2. S. Blundell, Magnetism in Condensed Matter (Oxford University Press, New York, 2001).
3. J. R. Chelikowsky and M. L. Cohen, in Handbook on Semiconductors, 2nd ed. (Elsevier, Amsterdam, 1992), Vol. 1, p. 59.
4. M. N. Huda, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.73.053201 73, 053201 (2006).
5. P. Babu Dayal, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.115413 72, 115413 (2005).
6. G. Nicolay, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.033407 65, 033407 (2001);
7. H. Cercellier, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.193412 70, 193412 (2004);
8. C. R. Ast, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98. 186807 98, 186807 (2007).
9. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
10. W. E. Pickett, Comput. Phys. Rep. CPHREF 0167-7977 10.1016/0167-7977(89) 90002-6 9, 115 (1989).
11. L. Kleinman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.21.2630 21, 2630 (1980).
12. K. M. Rabe and J. D. Joannopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.2302 32, 2302 (1985).
13. M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.34.2920 34, 2920 (1986).
14. X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.11827 41, 11827 (1990).
15. M. P. Surh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.4286 43, 4286 (1991).
16. L. A. Hemstreet, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.4238 47, 4238 (1993).
17. G. Theurich and N. A. Hill, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.073106 64, 073106 (2001).
18. G. Theurich and N. A. Hill, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.115208 66, 115208 (2002).
19. A. Dal Corso and A. M. Conte, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.115106 71, 115106 (2005).
20. T. L. Beck, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.72.1041 72, 1041 (2000).
21. J. R. Chelikowsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 72.1240 72, 1240 (1994).
22. J. R. Chelikowsky, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/33/8/201 33, R33 (2000).
23. L. Kronik, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200541463 243, 1063 (2006).
24. P. Pyykkö, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200300624 43, 4412 (2004).
25. G. B. Bachelet and M. Schlüter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.25.2103 25, 2103 (1982).
26. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
27. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
28. A. Stathopoulos, Comput. Sci. Eng. CSENFA 1521-9615 10.1109/5992.852388 2, 19 (2000).
29. L. Fernandez-Seivane, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/18/34/012 18, 7999 (2006).
30. G. Kresse and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
31. D. Hobbs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.11556 62, 11556 (2000).
32. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
33. J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77. 3865 77, 3865 (1996).