Spin-orbit coupling in an f-electron tight-binding model: Electronic properties of Th, U, and Pu

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 4, 2009, Pages

  Jones, M D ^a   Albers, R C ^b  

^a UNIVERSITY AT BUFFALO   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 59249104868     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.045107     Document Type: Article

References (23)

1. C. M. Goringe, D. R. Bowler, and E. Hernandez, Rep. Prog. Phys. 60, 1447 (1997). 10.1088/0034-4885/60/12/001
2. D. A. Papaconstantopoulos and M. J. Mehl, J. Phys.: Condens. Matter 15, R413 (2003). 10.1088/0953-8984/15/10/201
3. J.-X. Zhu, A. K. McMahan, M. D. Jones, T. Durakiewicz, J. J. Joyce, J. M. Wills, and R. C. Albers, Phys. Rev. B 76, 245118 (2007). 10.1103/PhysRevB.76. 245118
4. R. C. Albers, Nature (London) 410, 759 (2001). 10.1038/35071205
5. D. A. Papaconstantopoulos, Handbook of the Band Structure of Elemental Solids (Plenum, New York, 1986).
6. M. D. Jones and R. C. Albers, Phys. Rev. B 66, 134105 (2002). 10.1103/PhysRevB.66.134105
7. M. Lach-hab, M. J. Mehl, and D. A. Papaconstantopoulos, J. Phys. Chem. Solids 63, 833 (2002). 10.1016/S0022-3697(01)00237-2
8. K. T. Moore and G. van der Laan, arXiv:0807.0416, Rev. Mod. Phys. (to be published).
9. K. T. Moore, M. A. Wall, A. J. Schwartz, B. W. Chung, D. K. Shuh, R. K. Schulze, and J. G. Tobin, Phys. Rev. Lett. 90, 196404 (2003). 10.1103/PhysRevLett.90.196404
10. K. T. Moore, G. van der Laan, M. A. Wall, A. J. Schwartz, and R. G. Haire, Phys. Rev. B 76, 073105 (2007). 10.1103/PhysRevB.76.073105
11. M. T. Butterfield, K. T. Moore, G. van der Laan, M. A. Wall, and R. G. Haire, Phys. Rev. B 77, 113109 (2008). 10.1103/PhysRevB.77.113109
12. J. C. Slater and G. F. Koster, Phys. Rev. 94, 1498 (1954). 10.1103/PhysRev.94.1498
13. F. von Der Lage and H. A. Bethe, Phys. Rev. 71, 612 (1947). 10.1103/PhysRev.71.612
14. W. A. Harrison, Electronic Structure and the Properties of Solids (Freeman, San Francisco, CA, 1980).
15. K. Takegahara, Y. Aoki, and A. Yanase, J. Phys. C 13, 583 (1980). 10.1088/0022-3719/13/4/016
16. J. Friedel, P. Lenglart, and G. Leman, J. Phys. Chem. Solids 25, 781 (1964). 10.1016/0022-3697(64)90090-3
17. D. J. Chadi, Phys. Rev. B 16, 790 (1977). 10.1103/PhysRevB.16.790
18. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K, An Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwartz, Techn. Universität Wien, Austria, 2001).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
20. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994). 10.1103/PhysRevB.49.16223
21. S. Kotochigova, Z. H. Levine, E. L. Shirley, M. D. Stiles, and C. W. Clark, http://math.nist.gov/DFTdata, 1996.
22. ADF2004 01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands (http://www.scm.com).
23. F. Herman and S. Skillman, Atomic Structure Calculations (Prentice-Hall, Englewood Cliffs, NJ, 1963).