Prediction study of the structural, elastic, electronic and optical properties of the antiperovskite BiNBa3

Solid State Communications

Volumn 149, Issue 45-46, 2009, Pages 2002-2006

  Rached, D ^a   Hichour, M ^b   Rabah, M ^a   Benalia, S ^a   Rached, H ^a   Khenata, R ^b  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

A. Antiperovskite; D. Elastic constants; D. Electronic properties; D. Optical properties

Indexed keywords

A. ANTIPEROVSKITE; AB INITIO; ANTIPEROVSKITE; D. ELASTIC CONSTANTS; D. ELECTRONIC PROPERTIES; D. OPTICAL PROPERTIES; EFFECTIVE MASS; ELASTIC STIFFNESS; FUNDAMENTAL CHARACTERISTICS; LATTICE PARAMETERS; LINEAR DEPENDENCE; LINEAR MUFFIN-TIN ORBITAL METHOD; PRESSURE DEPENDENCE; SOUND VELOCITIES;

ELASTIC CONSTANTS; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; TIN;

OPTICAL PROPERTIES;

EID: 70349829241     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.08.033     Document Type: Article

References (33)

1. Kim W.S., Chi E.O., Kim J.C., Choi H.S., and Hur N.H. Solid State Commun. 119 (2001) 507
2. Chi E.O., Kim W.S., and Hur N.H. Solid State Commun. 120 (2001) 307
3. Ivanovskii A.L. Russ. Chem. Rev. 64 (1995) 499
4. Bouhemadou A., and Khenata R. Comput. Mater. Sci. 39 (2007) 803
5. Bouhemadou A., Khenata R., Chegaar M., and Maabed S. Phys. Lett. A 371 (2007) 337
6. Beznosikov B.V. Journal of Structural Chemistry 44 (2003) 885
7. Gäbler F., Kirchner M., Schnelle W., Schwarz U., Schmitt M., Rosner H., and Niewa R. Z. Anorg. Allg. Chem. 630 (2004) 2292
8. Gäbler F., Kirchner M., Schnelle W., Schmitt M., Rosner H., and Niewa R. Z. Anorg. Allg. Chem 631 (2005) 397
9. DiSalvo F.J. Solid state chemistry: A rediscovered chemical frontier. Science 247 (1990) 649
10. 3AsN. J. Solid State Chem. 96 (1992) 426
11. Niewa R., and Jacobs H. Chem. Rev. 96 (1996) 2053
12. Kniep R. Pure Appl. Chem. 69 (1997) 185
13. Niewa R., and DiSalvo F.J. Chem. Mater. 10 (1998) 2733
14. Savrasov S.Y. Phys. Rev. B 54 (1996) 16470
15. Savrasov S., and Savrasov D. Phys. Rev. B 46 (1992) 12181
16. Hohenberg P., and Kohn W. Phys. Rev. B 136 (1964) 864
17. Kohn W., and Sham L.J. Phys. Rev. A 140 (1965) 1133
18. Perdew J.P., and Wang Y. Phys. Rev. B 46 (1992) 12947
19. Blochl P., Jepsen O., and Andersen O.K. Phys. Rev. B 49 (1994) 16223
20. Birch F. J. Geophys. Res. 83 (1978) 1257
21. Mehl M.J., Osburn J.E., Papaconstantopoulos D.A., and Klein B.M. Phys. Rev. B 41 (1990) 10311
22. Mehl M.J., Klein B.M., and Papaconstantopoulos D.A. In: West-Brook J.H., and Fleisher R.L. (Eds). Principles Intermetallic Compounds, Vol. 1 (1995), Wiley, New York (Chapter 9)
23. Sahara R., Shishido T., Nomura A., Kudou K., Okada S., Kumar V., Nakajima K., and Kawazoe Y. Comput. Mater. Sci. 36 (2006) 12
24. Rached D., Rabah M., Benkhettou N., Soudini B., and Abid H. Phys. Status Solidi (b) 241 (2004) 2529
25. Rached D., Rabah M., Khenata R., Bouhemadou A., Benkhettou N., and Dine el Hannani M. Phys. Status Solidi (b) 244 (2007) 1988
26. Hashin Z., and Shtrikman S. J. Mech. Phys. Solids 10 (1962) 335
27. Haines J., Leger J.M., and Bocquillon G. Annu. Rev. Matter. Res. 31 (2001) 1
28. Pugh S.F. Philos. 45 (1954) 823
29. Vatheeswaran G., Kanchana V., Kumar R.S., Cornelius A.L., Nicol M.F., Svane A., Delin A., and Johansson B. Phys. Rev. B 76 (2007) 014107
30. Frantsevich I.N., Voronov F.F., and Bokuta S.K. In: Frantsevich I.N. (Ed). Elastic Constant and Elastic moduli of Metals and Insulator Handbook (1983), Naukova Dumka, Kiev 60-180
31. Wachter P., Filzmoser M., and Rebizant J. Physica B 293 (2001) 199
32. Anderson O.L. J. Phys. Chem. Solids 24 (1963) 909
33. Schreiber E., Anderson O.L., and Soga N. Elastic Constants and Their Measurements (1973), McGraw-Hill, New York