Pseudopotential and full-electron DFT calculations of thermodynamic properties of electrons in metals and semiempirical equations of state

Journal of Physics Condensed Matter

Volumn 22, Issue 50, 2010, Pages

  Levashov, P R ^a   Sin'ko, G V ^b   Smirnov, N A ^b   Minakov, D V ^a   Shemyakin, O P ^a   Khishchenko, K V ^a  

^a JOINT INSTITUTE FOR HIGH TEMPERATURES   (Russian Federation)

^b INSTITUTE OF TECHNICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CORE ELECTRONS; DFT CALCULATION; HIGH DENSITY; ORBITAL METHOD; PROJECTOR AUGMENTED WAVES; PSEUDOPOTENTIAL APPROACH; PSEUDOPOTENTIALS; SEMIEMPIRICAL EQUATION; THEORETICAL APPROACH; THERMAL CONTRIBUTIONS; THERMODYNAMIC FUNCTIONS; THOMAS-FERMI MODEL; VALENT ELECTRONS;

DENSITY FUNCTIONAL THEORY; EQUATIONS OF STATE; THERMODYNAMIC PROPERTIES; TIN;

ELECTRON TEMPERATURE;

EID: 78649885959     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/50/505501     Document Type: Article

References (28)

1. Savrasov S Y 1996 Phys. Rev. B 54 16470-86
2. http://physics.ucdavis.edu/~mindlab/
3. Sin'ko G V and Smirnov N A 2006 Phys. Rev. B 74 134113
4. Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15-50
5. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169-86
6. Vanderbilt D 1990 Phys. Rev. B 41 7892-5
7. Kresse G and Hafner J 1994 J. Phys.: Condens. Matter 6 8245-58
8. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758-75
9. Wang Y and Perdew J P 1991 Phys. Rev. B 44 13298-307
10. Perdew J P, Chevary J A, Vosko S H, Jackson K A, PedersonM R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671-87
11. Blöchl P E, Jepsen O and Andersen O K 1994 Phys. Rev. B 49 16223-33
12. Gunnarsson O and Lundqvist B I 1976 Phys. Rev. B 13 4274-98
13. von Barth U and Hedin L 1972 J. Phys. C: Solid State Phys. 5 1629-42
14. Bushman A V, Fortov V E, Kanel' G I and Ni A L 1993 Intense Dynamic Loading of Condensed Matter (Washington: Taylor & Francis)
15. Agranat M B, Andreev N E, Ashitkov S I, Veisman M E, Levashov P R, Ovchinnikov A V, Sitnikov D S, Fortov V E and Khishchenko K V 2007 JETP Lett. 85 271-6
16. Feynman R P, Metropolis N and Teller E 1949 Phys. Rev. 75 1561-73
17. Veysman M E, Agranat M B, Andreev N E, Ashitkov S I, Fortov V E, Khishchenko K V, Kostenko O F, Levashov P R, Ovchinnikov A V and Sitnikov D S 2008 J. Phys. B: At. Mol. Opt. Phys. 41 125704
18. Komarov P S et al 2009 J. Phys. A: Math. Theor. 42 214057
19. Shemyakin O P, Levashov P R, Obruchkova L R and Khishchenko K V 2010 J. Phys. A: Math. Theor. 43 335003
20. Oganov A and Dorogokupets P I 2003 Phys. Rev. B 67 224110
21. Oganov A R and Dorogokupets P I 2004 J. Phys.: Condens. Matter 16 1351-60
22. Dewaele A, Torrent M, Loubeyre P and Mezouar M 2008 Phys. Rev. B 78 104102
23. Liu Z L, Cai L C, Chen X R, Wu Q and Jing F Q 2009 J. Phys.: Condens. Matter 21 095408
24. Yang J, Tse J S and Iitaka T 2010 J. Phys.: Condens. Matter 22 095503
25. Saal J E, Shang S L, Wang Y and Liu Z K 2010 J. Phys.: Condens. Matter 22 096006
26. Tokar K, Jochym P T, Parlinski K, Lazewski J, Piekarz P and Sternik M 2010 J. Phys.: Condens. Matter 22 145402
27. Bushman A V and Fortov V E 1987 Sov. Technol. Rev. B 1 219-336
28. Kirzhnits D A, Lozovik Y E and Shpatakovskaya G V 1975 Sov. Phys. Usp. 18 649-72