First-principles thermodynamic calculations for δ-Pu and ε-Pu

Journal of Physics Condensed Matter

Volumn 12, Issue 21, 2000, Pages

  Wang, Yi ^a,b   Sun, Yunfeng ^a  

^a PEKING UNIVERSITY   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETISM; APPROXIMATION THEORY; CORRELATION METHODS; CRYSTAL ATOMIC STRUCTURE; CRYSTAL LATTICES; FREE ENERGY; STATISTICAL MECHANICS;

BODY CENTERED CUBIC (BCC) STRUCTURE; FACE CENTERED CUBIC (FCC) STRUCTURE;

PLUTONIUM;

EID: 0033745750     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/21/101     Document Type: Article

References (18)

1. Wallace D C 1998 Phys. Rev. B 58 15 433
2. Solovyev I V, Liechtenstein A I, Gubanov V A, Antropov V P and Andersen O K 1991 Phys. Rev. B 43 14 414
3. Skriver H L, Andersen O K and Johansson B 1978 Phys. Rev. Lett. 41 42
4. Söderlind P 1998 Adv. Phys. 47 959
5. Savrasov S Y and Kotliar G 2000 Phys. Rev. Lett. 84 3670
6. van Ek J, Sterne P A and Gonis A 1993 Phys. Rev. B 48 16 280
7. Vitos L, Kollár J and Skriver H L 1997 Phys. Rev. B 55 4947
8. Jones M D, Boettger J C, Albers R C and Singh D J 2000 Phys. Rev. B 61 4644
9. Wang Y 2000 Phys. Rev. B 61 R11863
10. Blaha P, Schwarz K and Luitz J 1997 WIEN97 Vienna University of Technology This is an improved and updated Unix version of the original copyrighted WIEN code, which was published by Blaha P, Schwarz K, Sorantin P and Trickey S B 1990 Comput. Phys. Commun. 59 399
11. Perdew J P, Burke S and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
12. Wang Y, Chen D and Zhang X 2000 Phys. Rev. Lett. 84 3220
13. Boettger J C and Wallace D C 1997 Phys. Rev. B 55 2840
14. Dugdale J S and MacDonald D K C 1953 Phys. Rev. 89 832
15. Jarlborg T, Moroni E G and Grimvall G 1997 Phys. Rev. B 55 1288
16. Zhou Y, Zhang W, Zhong L, Nie X and Wang D 1997 J Magn. Magn. Mater. 167 136
17. Roof R B 1981 Adv. X-ray Anal. 24 221
18. Dabos-Seignon S, Dancausse J P, Gering E, Heathman S and Benedict U 1993 J. Alloys Compounds 190 237