First principles study of electronic, bonding, elastic properties and intrinsic hardness of CdSiP2

Computational Materials Science

Volumn 77, Issue , 2013, Pages 114-119

  Lv, Zhen Long ^a,b   Cheng, Yan ^a   Chen, Xiang Rong ^a   Ji, Guang Fu ^c  

^a SICHUAN UNIVERSITY   (China)

^b HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Elastic properties; Electronic properties; Hardness; Inorganic compounds

Indexed keywords

DIRECT-GAP SEMICONDUCTOR; ELASTIC ANISOTROPY; ELASTIC PROPERTIES; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; TECHNICAL APPLICATIONS;

ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; ELECTRONIC PROPERTIES; INORGANIC COMPOUNDS;

HARDNESS;

EID: 84877966207     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.04.023     Document Type: Article

References (45)

1. V. Petrov, P.G. Schunemann, K.T. Zawilski, and T.M. Pollak Opt. Lett. 34 2009 2399
2. V. Petrov, F. Noack, I. Tunchev, P. Schunemann, and K. Zawilski Proc. SPIE 7197 2009 71970M
3. A.S. Borshchevskii, N.A. Goryunova, F.P. Kesamanly, and D.N. Nasledov Phys. Status Solidi 21 1967 9
4. A.J. Spring-Thorpe, and B.R. Pamplin J. Cryst. Growth 4 1968 313
5. S.C. Abrahams, and J.L. Bernstein J. Chem. Phys. 55 1971 796
6. M. Bettini, and W.B. Holzapfel Solid State Commun. 16 1975 27
7. A. Shileika Surf. Sci. 37 1973 730
8. K.T. Zawilski, P.G. Schunemann, T.C. Pollak, D.E. Zelmon, N.C. Fernelius, and F.K. Hopkins J. Cryst. Growth 312 2010 1127
9. L. Fan, S. Zhu, B. Zhao, B. Chen, Z. He, H. Yang, and G. Liu J. Cryst. Growth 338 2012 228
10. A.S. Poplavnoi Vyssh. Izv. Uchebn Zaved Fiz. 29 1986 5
11. A.S. Verma, S. Sharma, R. Bhandari, B.K. Sarkar, and V.K. Jindal Mater. Chem. Phys. 132 2012 416
12. H. Neumann Cryst. Res. Technol. 23 1988 97
13. P. Deus, and H.A. Schneider Cryst. Res. Technol. 20 1985 867
14. R.R. Reddy, Y.N. Ahammed, K.R. Gopal, and T.V.R. Rao Infrared Phys. Technol. 39 1998 55
15. R.R. Reddy, K.R. Gopal, K. Narasimhulu, L.S.S. Reddy, K.R. Kumar, G. Balakrishnaiah, and M.R. Kumar J. Alloys Compd. 473 2009 28
16. V. Kumar, A.K. Shrivastava, and V. Jha J. Phys. Chem. Solids 71 2010 1513
17. L. Garbato, and A. Rucci Philos. Mag. 35 1977 1685
18. S.C. Abrahams, and F.S.L. Hsu J. Chem. Phys. 63 1975 1162
19. L.I. Berger, and B.P. Pamplin Properties of Semiconductors - Handbook of Chemistry and Physics 1993 CRC Press Boca Raton
20. F. Chiker, B. Abbar, A. Tadjer, H. Aourag, and B. Khelifa Mater. Sci. Eng. B 98 2003 81
21. F. Chiker, B. Abbar, A. Tadjer, S. Bresson, B. Khelifa, and C. Mathieu Physica B 349 2004 181
22. A.S. Poplavnoi, Y.I. Polygalov, and V.A. Chaldyshev Vysshikh I. Uchebn Zaved Fiz. 6 1970 95
23. Y.M. Basalaev, A.B. Gordienko, and A.S. Poplavnoi Russ. Phys. J. 48 2005 78
24. R. John Comp. Mater. Sci. 44 2008 106
25. V.L. Shaposhnikov, A.V. Krivosheeva, V.E. Borisenko, J.L. Lazzari, and F.A. d'Avitaya Phys. Rev. B 85 2012 205201
26. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Harsnip, S.J. Clark, and M.C. Panye J. Phys. Condens. Matter 14 2002 2717
27. Z. Wu, and R.E. Cohen Phys. Rev. B 73 2006 235116
28. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
29. F. Gao, J. He, E. Wu, S. Liu, D. Yu, D. Li, S. Zhang, and Y. Tian Phys. Rev. Lett. 91 2003 015502
30. X. Zhang, Z. Chen, H. Du, C. Yang, M. Ma, J. He, Y. Tian, and R. Liu J. Appl. Phys. 103 2008 083533
31. X. Guo, L. Li, Z. Liu, D. Yu, J. He, R. Liu, B. Xu, Y. Tian, and H.T. Wang J. Appl. Phys. 104 2008 023503
32. X. Wang, K. Bao, F. Tian, X. Meng, C. Chen, B. Dong, D. Li, B. Liu, and T. Cui J. Chem. Phys. 133 2010 044512
33. Z. Zhao, M. Wang, L. Cui, J. He, D. Yu, and Y. Tian J. Phys. Chem. C 114 2010 9961
34. I.A. Hijazi, and Y.H. Park J. Mater. Sci. Technol. 25 2009 835
35. J. Tersoff Phys. Rev. Lett. 61 1988 2879
36. P. Pavlides, D. Pugh, and K.J. Roberts J. Phys. D Appl. Phys. 24 1991 100
37. Z. Wu, E. Zhao, H. Xiang, X. Hao, X. Liu, and J. Meng Phys. Rev. B 76 2007 054115
38. P. Ravindran, L. Fast, P.A. Korzhavyi, and B. Johansson J. Appl. Phys. 84 1998 4891
39. J.F. Nye Physical Properties of Crystals 1985 Clarendon Press Oxford
40. J.E. Jaffe, and D. Zunger Phys. Rev. B 29 1984 1882
41. B. Holm, R. Ahuja, Y. Yourdshahyan, B. Johanson, and B.I. Lundqvist Phys. Rev. B 59 1999 12777
42. F. Gao Phys. Rev. B 73 2006 132104
43. F. Arab, F. AliSahraoui, K. Haddadi, and L. Louail Comp. Mater. Sci. 65 2012 520
44. J. Zhao, J.M. Winey, and Y.M. Gupta Phys. Rev. B 75 2007 094105
45. P. Wang, C.G. Piao, R.Y. Meng, Y. Cheng, and G.F. Ji Physica B 407 2012 227