The structural, elastic, and electronic properties of the pyrite-type phase for SnO2

Journal of Physics and Chemistry of Solids

Volumn 69, Issue 4, 2008, Pages 859-864

  Deligoz, E ^a   Colakoglu, K ^a   Ciftci, Y O ^a  

^a GAZI UNIVERSITY   (Turkey)

Author keywords

C. ab initio calculations; D. Elastic properties; D. Electronic structure; D. Thermodynamic properties

Indexed keywords

APPROXIMATION THEORY; DEBYE TEMPERATURE; ELASTIC MODULI; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; PHASE STRUCTURE; POLYMORPHISM;

AB INITIO CALCULATIONS; LDA APPROXIMATIONS; PYRITE TYPE PHASES; SOUND VELOCITIES;

TIN OXIDES;

EID: 41849109099     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2007.09.019     Document Type: Article

References (35)

1. Haines J., and Leger J.M. Phys. Rev. B 55 (1997) 11144
2. Bolzan A., Fong C., Kennedy B., and Howard C. Acta Crystallogr. B 53 (1997) 373
3. Idota Y., Kubota T., Matsufuji A., Mackawa Y., and Miyasaka T. Science 276 (1997) 1395
4. Chen M.H., Huang Z.C., Wu G.T., Zhu G.M., You J.K., and Lin Z.G. Mater. Res. Bull. 38 (2003) 831
5. Suito K., Kawai N., and Masuda Y. Mater. Res. Bull. 10 (1975) 677
6. Ono S., Ito E., Katsura T., Yoneda A., Walter M.J., Urakawa S., Utsumi W., and Funakoshi K. Phys. Chem. Miner. 27 (2000) 618
7. Endo S., Nitawaki S., Shige T., Akahama Y., Kikegawa T., and Shimomura O. High Press. Res. 4 (1990) 408
8. Hellwig H., Goncharov A.F., Gregoryanz E., Mao H.K., and Hemley R.J. Phys. Rev. B 67 (2003) 174110
9. Moreno M.S., Egerton R.F., and Midgley P.A. Phys. Rev. B 69 (2004) 233304
10. Ono S., Funakoshi K., Nozawa A., and Kikegawa T. J. Appl. Phys. 97 (2005) 073523
11. He Y., Liu J.F., Chen W., Wang Y., Wang H., Zeng Y.W., Wang L.N., Liu J., and Hu T.D. Phys. Rev. B 72 (2005) 212102
12. Shieh S.R., Kubo A., Duffy T.S., Prakapenka V.B., and Shen G. Phys. Rev. B 73 (2006) 014105
13. Mazzone A.M. Phys. Rev. B 68 (2003) 045412
14. Terra J., and Guenzburger D. Phys. Rev.B 16 (1991) 8584
15. Sevik C., and Bulutay C. Phys. Rev. B 74 (2006) 193201
16. Errico L.A. Physica B 389 (2007) 140
17. Postnikov A.V., Entel P., and Ordejon P. Phase Transitions 75 (2002) 143
18. Parlinski K., and Kawazoe Y. Eur. Phys. J. B 13 (2000) 679
19. Muscat J., Swamy V., and Harrison N.M. Phys. Rev. B 65 (2002) 224112
20. 〈www.uam.es/siesta〉
21. Ordejón P., Artacho E., and Soler J.M. Phys. Rev. B (Rapid Commin.) 53 (1996) R10441
22. Soler J.M., Artacho E., Gale J.D., García A., Junquera J., Ordejón P., and Sánchez-Portal D. J. Phys.: Condens. Matter 14 (2002) 2745
23. Ceperley D.M., and Alder M.J. Phys. Rev. Lett. 45 (1980) 566
24. Troullier N., and Martins J.L. Phys. Rev. B 43 (1991) 1993
25. Sankey O.F., and Niklewski D.J. Phys. Rev. B 40 (1989) 3979
26. Murnaghan F.D. Proc. Natl. Acad. Sci. USA 30 (1944) 5390
27. Mehl J. Phys. Rev. B 47 (1993) 2493
28. Wang S.Q., and Ye H.Q. Phys. Stat. Sol. B 240 (2003) 45
29. Gülseren O., and Cohen R.E. Phys. Rev. B 65 (2002) 641032
30. Deligoz E., Colakoglu K., and Ciftci Y. Physica B 373 (2006) 124
31. Tse J.S., Klug D.D., Uehara K., Li Z.Q., Haines J., and Le′ger J.M. Phys. Rev. B 61 (2000) 10029
32. Mayer B., Anton H., Bott E., Methfessel M., Sticht J., and Schmidt P.C. Intermetallics 11 (2003) 23
33. Christman J.R. Fundamentals of Solid State Physics (1988), Wiley, New York
34. Johnston I., Keeler G., Rollins R., and Spicklemire S. Solid State Physics Simulations, The Consortium for Upper-Level Physics Software (1996), Jhon Wiley, New York
35. Screiber E., Anderson O.L., and Soga N. Elastic Constants and their Measurements (1973), McGraw-Hill, New York