Calculated equilibrium properties, electronic structures and structural stabilities of Th, Pa, U, Np and Pu

Journal of Physics Condensed Matter

Volumn 12, Issue 27, 2000, Pages 5819-5829

  Penicaud M ^a  

^a CEA DIF   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELASTIC MODULI; ELECTRONIC STRUCTURE; FERMI LEVEL; NUMERICAL METHODS; PHASE TRANSITIONS; PHOTOELECTRON SPECTROSCOPY; PRESSURE; SPECIFIC HEAT; STABILITY;

EQUILIBRIUM VOLUMES; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; MUFFIN TIN ORBITAL METHOD; STRUCTURAL STABILITY;

ACTINIDES;

EID: 0037882661     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/27/301     Document Type: Article

References (33)

1. Pénicaud M 1997 J. Phys.: Condens. Matter 9 6341
2. Söderlind P 1998 Adv. Phys. 47 959
3. Blaha P, Schwarz K and Luitz J 1999 Wien97 Vienna University of Technology (an improved and updated version of the original Wien code Blaha P, Schwarz K, Sozantin P and Trickey S B 1990 Comput. Phys. Commun. 59 399)
4. Blaha P, Schwarz K and Luitz J 1999 Wien97 Vienna University of Technology (an improved and updated version of the original Wien code Blaha P, Schwarz K, Sozantin P and Trickey S B 1990 Comput. Phys. Commun. 59 399)
5. Perdew J P, Burke S and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
6. Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R and Singh D J 1992 Phys. Rev. B 46 6671
7. Jones M D, Boettger J C, Albers R C and Singh D J 2000 Phys. Rev. B 61 4644
8. Singh D J 1994 Planewaves, Pseudopotentials and the LAPW Method (Boston: Kluwer)
9. Chadi D J and Cohen M L 1973 Phys. Rev. B 8 5747
10. Dabos-Seignon S, Dancausse J P, Gering E, Heathman S and Benedict U 1993 J. Alloys Compounds 190 237
11. Wyckoff R W G 1963 Crystal Structures vol 1 (New York: Wiley-Interscience)
12. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
13. Wills J M, Anderson P H, Nordström L, Söderlind P and Eriksson O 1999 cond-mat/9908344
14. Dabos S, Dufour C, Benedict U and Pagès M 1987 J. Magn. Magn. Mater. 63-64 661
15. Blöchl P E, Jepsen O and Anderson O K 1994 Phys. Rev. B 49 16 223
16. Fu C L and Ho K M 1983 Phys. Rev. B 28 5480
17. Wills J M and Eriksson O 1992 Phys. Rev. B 45 13 879
18. Söderlind P, Wills J M, Boring A M, Johansson B and Eriksson O 1994 J. Phys.: Condens. Matter 6 6573
19. Ziman J M 1972 Principle of the Theory of Solids (Cambridge: Cambridge University Press) p 144
20. Fournier J M and Troc R 1985 Handbook on the Physics and Chemistry of the Actinides vol 2, ed A J Freeman and G H Lander (Amsterdam: North-Holland) p 48
21. Moment R L 1976 Plutonium and Other Actinides ed H Blank and R Lindner (Amsterdam: North-Holland) p 687
22. Nacgele J R, Cox L E and Ward J M 1993 Proc. 23rd Journées des Actinides (Schwarzwald, 1993)
23. Arko A J, Joyce J J and Morales L 1999 J. Alloys Compounds 286 14
24. Svane A and Gunnarsson O 1990 Phys. Rev. Lett. 65 1148
25. Strange P, Svane A, Temmerman W M, Szotek Z and Winter H 1999 Nature 399 756
26. Petit L, Svane A, Temmerman W M and Szotek Z 2000 to be published
27. Anisimov V I, Zaanen J and Andersen O K 1991 Phys. Rev. B 44 943
28. Savzasov S Y and Kotliar G 2000 Phys. Rev. Lett. 84 3670
29. Bouchet J, Siberchicot B, Jollet F and Pasturel A 2000 J. Phys.: Condens. Matter 12 1723
30. Price D L, Cooper B R, Lim S P and Avgin I 2000 Phys. Rev. B 61 9867
31. Eriksson O. Becker J D, Balatsky A V and Wills J M 1999 J. Alloys Compounds 287 1
32. Söderlind P, Johansson B and Eriksson O 1995 Phys. Rev. B 52 1631
33. Söderlind P, Wills J M, Johansson B and Eriksson O 1997 Phys. Rev. B 55 1997