Elastic constants and thermodynamic properties of Mg2Si xSn1-x from first-principles calculations

Chinese Physics B

Volumn 18, Issue 5, 2009, Pages 1979-1984

  Na Na, Liu ^a,b   Ren Bo, Song ^a   Da Wei, Du ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b Zibo Vocational Institute   (China)

Author keywords

Elastic constants; First principles; Heat capacity; Mg2SixSn1 x

Indexed keywords

BULK MODULUS; CONSTANT PRESSURES; CONSTANT VOLUMES; EXCHANGE AND CORRELATION; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HEAT CAPACITY; MG2SIXSN1-X; PHONONIC EFFECTS; PLANE WAVE; QUASI-HARMONIC DEBYE MODEL; SHEAR MODULUS; SPECIFIC HEAT CAPACITY; TOTAL ENERGY CALCULATION;

CALORIMETRY; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; SILICON; SOLID STATE PHYSICS; SPECIFIC HEAT; THERMODYNAMICS; TIN;

ELASTIC CONSTANTS;

EID: 67650714749     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/5/041     Document Type: Article

References (27)

1. Schulz T, Ruffel M and Pixius K 1999 Powder Technol. 105 149
2. Noda Y, Otsuka N and Matsumoto K 1989 J. Appl. Phys. 53 487
3. Song R B, Liu Y Z and Aizawa T 2006 Chin. J. Aeronautics 19 S134
4. Song R, Aizawa T and Yamamoto A 2005 J. Metastable Nanocrystalline Materials 24-25 347
5. Hyun D B, Hwang J S and Shim J D 2001 J. Mater. Sci. 36 1201
6. Arnaud B and Alouani M 2001 Phys. Rev. B 64 033202
7. Tani J I and Kido H 2008 Intermetallics 16 418
8. Huang T F and Harris J S 1998 Appl. Phys. Lett. 72 1158
9. Lin J S, Qteish A, Payne M C and Heine V 1993 Phys. Rev. B 47 4174
10. Srivastava G P and Weaire D 1987 Adv. Phys. 26 463
11. Monkhorst H J and Pack J D 1977 Phys. Rev. B 16 1748
12. Milman V, Winkler B and Probert M I J 2005 J. Phys.: Condens. Mat. 17 2233
13. Bouhemadou A, Khenata R and Zerarga F 2007 Comput. Mater. Sci. 39 709
14. Ashcroft N W and Mermin N D 1976 Solid State Physics (Philadelphia: Saunders College)
15. Voigt W 1982 Lehrbch der Kristallphysik (Leipzig: Taubner)
16. Reuss A and Angew Z 1929 Math. Mech. 9 55
17. Hill R 1952 Proc. Phys. Soc. (London Sect. A) 65 350
18. Madelung O 1983 New Series Group III (Spring-Verlag, Berlin) 163 17e
19. Davis L C, Whitten W B and Danielson G C 1967 J. Phys. Chem. Solids 28 439
20. Pugh S F 1954 Phil. Mag. 45 823
21. Sun Z, Li S, Ahuja R and Schneide J M 2004 Solid State Commun. 129 589
22. Wachter P, Filzmoser M and Rebizant J 2001 Physica B 293 199
23. Gerstein B C, Jelinek F J, Habenschuss M, Shickell W D, Mullaly J R and Chung P L 1967 J. Chem. Phys. 47 2109
24. Baroni S, Giannozzi P and Testa A 1987 Phys. Rev. Lett. 58 1861
25. Debye P 1912 Ann. Phys. 39 89
26. Petit A T and Dulong P L 1819 Ann. Chim. Phys. 10 95
27. Jelinek F J, Shickell W D and Gerstein B C 1967 J. Phys. Chem. Solids 28 267