Structural, elastic, electronic properties and stability trends of 1111-like silicide arsenides and germanide arsenides MCuXAs (M = Ti, Zr, Hf; X = Si, Ge) from first principles

Journal of Alloys and Compounds

Volumn 533, Issue , 2012, Pages 71-78

  Bannikov, V V ^a   Shein, I R ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

Ab initio calculations; Elastic; Electronic properties; Germanide arsenides; Inter atomic bonding; Silicide arsenides; Structural; ZrCuSiAs

Indexed keywords

AB INITIO CALCULATIONS; ELASTIC; GERMANIDES; INTER-ATOMIC BONDING; STRUCTURAL; ZRCUSIAS;

CALCULATIONS; ELECTRONIC PROPERTIES; GERMANIUM; HAFNIUM; SILICIDES; ZIRCONIUM;

ARSENIC COMPOUNDS;

EID: 84860990381     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.04.024     Document Type: Article

References (59)

1. Y. Kamihara, T. Watanabe, M. Hirano, and H. Hosono Journal of the American Chemical Society 130 2008 3296
2. A.L. Ivanovskii AL Physics - Uspekhi 51 2008 1229
3. Z.A. Ren, and Z.X. Zhao Advanced Materials 21 2009 4584
4. J. Paglione, and R.L. Greene Nature Physics 6 2010 645
5. P.M. Aswathy, J.B. Anooja, P.M. Sarun, and U. Syamaprasad Superconductor Science and Technology 23 2010 073001
6. D.C. Johnson Advances in Physics 59 2010 803
7. D. Johrendt Journal of Materials Chemistry 21 2011 13726
8. R. Pöttgen, and D. Johrendt Zeitschrift fur Naturforschung 63b 2008 1135
9. T.C. Ozawa, and S.M. Kauzlarich Science and Technology of Advanced Materials 9 2008 033003
10. D. Johrendt, H. Hosono, R.D. Hoffmann, and R. Pöttgen Zeitschrift fur Kristallograhie 226 2011 435
11. H. Lincke, R. Glaum, V. Dittrich, M. Tegel, D. Johrendt, W. Hermes, M.H. Möoller, T. Nilges, and R. Pöttgen Zeitschrift fur Anorganische und Allgemeine Chemie 634 2008 1339
12. H. Lincke, R. Glaum, V. Dittrich, M.H. Möller, and R. Pöttgen Zeitschrift fur Anorganische und Allgemeine Chemie 635 2009 936
13. K. Ueda, H. Hiramatsu, H. Ohta, M. Hirano, T. Kamiya, and H. Hosono Physical Review B 69 2004 55305
14. K. Ueda, H. Hiramatsu, M. Hirano, T. Kamiya, and H. Hosono Thin Solid Films 496 2006 8
15. H. Hiramatsu, H. Kamioka, K. Ueda, H. Ohta, T. Kamiya, M. Hirano, and H. Hosono Physical Status Solidi A 203 2006 2800
16. H. Hosono Thin Solid Films 515 2007 6000
17. H. Hiramatsu, Y. Kamihara, H. Yanagi, K. Ueda, T. Kamiya, M. Hirano, and H. Hosono Journal of the European Ceramic Society 29 2009 245
18. V. Johnson, and W. Jeitschko Journal of Solid State Chemistry 11 1974 161
19. P.E.R. Blanchard, R.G. Cavell, and A. Mar Journal of Solid State Chemistry 183 2010 1536
20. A.M. Baergen, P.E.R. Blanchard, S.S. Stoyko, and A. Mar Zeitschrift fur Anorganische und Allgemeine Chemie 637 2011 2007
21. A.L. Ivanovskii Physica C 471 2011 409
22. A.L. Ivanovskii Russian Chemical Review 79 2010 1
23. I.R. Shein, and A.L. Ivanovskii Physical Review B 79 2009 245115
24. I.R. Shein, and A.L. Ivanovskii Journal of Superconductivity of Novel Magnetism 22 2009 613
25. T. Yildirim Physical Review Letters 102 2009 037003
26. I.R. Shein, and A.L. Ivanovskii Physical Review B 79 2009 054510
27. I.R. Shein, and A.L. Ivanovskii Physical Review B 83 2011 104501
28. I.R. Shein Physica B 406 2011 3525
29. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties 2001 Vienna University of Technology Vienna
30. J.P. Perdew, S. Burke, and M. Ernzerhof Physical Review Letters 77 1996 3865
31. P.E. Blochl, O. Jepsen, and O.K. Anderson Physical Review B 49 1994 16223
32. G. Kresse, and D. Joubert Physical Review B 59 1999 1758
33. G. Kresse, and J. Furthmuller Physical Review B 54 1996 11169
34. I.R. Shein, and A.L. Ivanovskii Physica C 469 2009 15
35. V.V. Bannikov, I.R. Shein, and A.L. Ivanovskii Materials Chemistry and Physics 116 2009 129
36. V.V. Bannikov, I.R. Shein, and A.L. Ivanovskii Computation Materials Science 50 2011 2736
37. I.R. Shein, and A.L. Ivanovskii Solid State Communications 150 2010 640
38. V.V. Bannikov, I.R. Shein, and A.L. Ivanovskii Solid State Sciences 14 2012 89
39. M. Born, and K. Huang Dynamical Theory of Crystal Lattices 1956 Clarendon Oxford
40. W. Voigt, Lehrbuch der Kristallphysik, Teubner, Leipzig, 1928.
41. A. Reuss, and Z. Angew Mathematics and Mechanics 9 1929 49
42. R. Hill Proceedings of the Royal Society of London Series A 65 1952 349
43. I.R. Shein, and A.L. Ivanovskii Scripta Materialia 59 2008 1099
44. Y.M. Shi, and S.L. Ye Transactions of Nonferrous Metals Society of China 21 2011 1278
45. G. Garbarino, P. Toulemonde, M. Álvarez-Murga, A. Sow, and M. Mezouar Physical Review B 78 2008 100507(R)
46. A. Martinelli, M. Ferretti, A. Palenzona, and M. Merlini Physica C 469 2009 782
47. J. Zhao, L. Wang, D. Dong, Z. Liu, H. Liu, G. Chen, D. Wu, J. Luo, N. Wang, Y. Yu, C. Jin, and Q. Guo Journal of the American Chemical Society 130 2008 13828
48. S.F. Pugh Philosophical Magazine 45 1953 823
49. J. Haines, J.M. Leger, and G. Bocquillon Annual Review of Materials Research 31 2001 1
50. S.Y. Chen, X.G. Gong, and S.H. Wei Physical Review B 77 2008 014113
51. A.L. Ivanovskii Progress in Materials Science 51 2012 184
52. H. Chung, and W.R. Buessem F.W. Vahldiek, S.A. Mersol, Anisotropy in Single Crystal Refractory Compound, Plenum 1968
53. S.I. Ranganathan, and M. Ostoja-Starzewshi Physical Review Letters 101 2008 055504
54. D. Teter MRS Bulletin 23 1998 22
55. X. Jiang, J. Zhao, and X. Jiang Computation Materials Science 50 2011 2287
56. X.Q. Chen, H. Niu, D. Li, and Y. Li Intermetallics 19 2011 1275
57. M. Alouani, R.C. Albers, and M. Methfessel Physical Review B 43 1991 6500
58. Y. Li, Y. Gao, B. Xiao, T. Min, Z. Fan, S. Ma, and L. Xu Journal of Alloys and Compounds 502 2010 28
59. R.F.W. Bader Atoms in Molecules: A Quantum Theory, International Series of Monographs on Chemistry 1990 Clarendon Press Oxford