Predictions of the structural, electronic and thermodynamic properties of the anti-fluorite-type Mg2Sn under pressure from first principles

Physica Scripta

Volumn 88, Issue 4, 2013, Pages

  Liu, Yong ^a   Hu, Wen Cheng ^a   Li, De Jiang ^b   Zeng, Xiao Qin ^c   Xu, Chun Shui ^a  

^a NANCHANG UNIVERSITY   (China)

^b Shanghai Jiao Tong University   (China)

^c SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY FACTOR; BONDING CHARACTERISTICS; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; INTER-ATOMIC DISTANCES; PRESSURE AND TEMPERATURE; QUASI-HARMONIC DEBYE MODEL; STRUCTURAL PARAMETER;

CALCULATIONS; CHEMICAL BONDS; ELASTIC MODULI; FLUORSPAR; HYDROSTATIC PRESSURE; TIN;

THERMODYNAMIC PROPERTIES;

EID: 84885135106     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/88/04/045302     Document Type: Article

References (42)

1. Sasaki T T, Yamamoto K, Honma T, Kamado S and Hono K 2008 Scr. Mater. 59 1111
2. Liu X B, Shan D Y, Song Y W, Chen R S and Han E H 2011 Electrochim. Acta 56 2582
3. Wei S H, Chen Y G, Tang Y B, Liu H M, Xiao S F, Niu G, Zhang X P and Zhao Y H 2008 Mater. Sci. Eng. A 492 20
4. Zaitsev V K, Fedorov M I, Gurieva E A, Eremin I S, Konstantinov P P, Samunin A Y and Vedernikov M V 2006 Phys. Rev. B 74 045207 (Pubitemid 44061150)
5. Dyuzheva T I, Bendeliani N A, Dzhavadov L N, Kolobyanina T N and Nikolaev N A 1995 J. Alloys Compounds 223 74
6. Son H T, Lee J B, Jeong H G and Konno T J 2011 Mater. Lett. 65 1966
7. Poddar P, Sahoo K L, Mukherjee S and Ray A K 2012 Mater. Sci. Eng. A 545 103
8. Benhelal O, Chahed A, Laksari S, Abbar B, Bouhafs B and Aourag H 2005 Phys. Status Solidi b 242 2022 (Pubitemid 41196176)
9. Viennois R, Colinet C, Jund P and Tédenac J C 2012 Intermetallics 31 145
10. Zhou D W, Liu J S, Xu S H and Peng P 2012 Comput. Mater. Sci. 51 409
11. Ganeshan S, Shang S L, Wang Y and Liu Z K 2010 J. Alloys Compounds 498 191
12. Yu F, Sun J X and Chen T H 2011 Physica 406 1789
13. Zhang X Y, Chen L, Ma M Z, Zhu Y, Zhang S H and Liu R P 2011 J. Appl. Phys. 109 113523
14. Wang H Y, Xua H, Wang X C and Jiang C Z 2009 Phys. Lett. A 373 2082
15. Semari F, Khenata R, Rabah M, Bouhemadou A, Omran S B, Reshak A H and Rached D 2010 J. Solid State Chem. 183 786
16. Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717 (Pubitemid 34288361)
17. Kohn W and Sham L 1965 Phys. Rev. A 140 1133
18. Vanderbilt D 1990 Phys. Rev. B 41 7892
19. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
20. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
21. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
22. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
23. Fischer T H and Almlof J 1992 J. Phys. Chem. 96 9768
24. Feng J, Xiao B, Zhou R, Pan W and Clarke D R 2012 Acta Mater. 60 3380
25. Blanco M A, Francisco E and Luana V 2004 Comput. Phys. Commun. 158 57
26. Brich F 1978 J. Geophys. Res. 83 1257
27. Arróyave R and Liu Z K 2006 Phys. Rev. B 74 174118 (Pubitemid 44815488)
28. Tani J I and Kido H 2012 Physica B 407 3493
29. Nye J F 1964 Physical Properties of Crystals (Oxford: Clarendon)
30. Ganeshan S, Shang S L, Zhang H, Wang Y, Mantina M and Liu Z K 2009 Intermetallics 17 313
31. Davis L C, Whitten W B and Danielson G C 1967 J. Phys. Chem. Solids 28 439
32. Tvergaard V and Hutchinson J W 1988 J. Am. Ceram. Soc. 71 157
33. Karki B B, Stixrude L, Clark S J, Warren M C, Ackland G J and Crain J 1997 Am. Mineral. 82 51
34. Hill R 1952 Proc. Phys. Soc. A 65 349
35. Hao A M, Yang X C, Wang X M, Zhu Y, Liu X and Liu R P 2010 J. Appl. Phys. 108 063531
36. Wu Z J, Zhao E J, Xiang H P, Hao X F, Liu X J and Meng J 2007 Phys. Rev. B 76 054115
37. Fu H Z, Li D H, Peng F, Gao T and Cheng X L 2008 Comput. Mater. Sci. 44 774
38. Pugh S F 1954 Phil. Mag. 45 823
39. Çiftci Y Ö, Çolakoǧlu K, Deligöz E and Bayhan Ü 2012 J. Mater. Sci. Technol. 28 155
40. Dang Z L, Zhan Y Z, Pang M J, Wang H Z and Du Y 2012 Comput. Mater. Sci. 59 33
41. Jelinek F J, Shickell W D and Gerstein B C 1967 J. Phys. Chem. Solids 28 267
42. Debye P 1912 Ann. Phys. 39 789