Structural and electronic properties of the pseudo-binary compounds PdX2 (X = P, S and Se)

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 1, 2010, Pages 42-46

  Hamidani, A ^a   Bennecer, B ^a   Zanat, K ^a  

^a UNIVERSITY OF GUELMA   (Algeria)

Author keywords

A. Chalcogenides; C. Ab initio calculations; D. Crystal structure; D. Electronic structure

Indexed keywords

AB INITIO CALCULATIONS; BULK MODULUS; C. AB INITIO CALCULATIONS; D. CRYSTAL STRUCTURE; D. ELECTRONIC STRUCTURE; DENSITIES OF STATE; EXCHANGE AND CORRELATION; FP-LAPW+LO; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; INTERATOMIC FORCES; LOCAL ORBITALS; PSEUDO-BINARIES; TOTAL ENERGY;

CHALCOGENIDES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EQUILIBRIUM CONSTANTS; LATTICE CONSTANTS; LITHIUM BATTERIES;

CRYSTAL STRUCTURE;

EID: 70449628763     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2009.10.004     Document Type: Article

References (24)

1. Meier M., and Weihrich R. Chem. Phys. Lett. 461 (2008) 38
2. Charrona L., Dumchenkob D., Fortina E., Ghermanb C., and Kulyuk L. J. Lumin. 112 (2005) 45
3. Gaojun A., Chenguang L., Yuandong H., Xiaoling Z., and Yunqi L. Mater. Lett. 62 (2008) 2643
4. Ming-Zhe X., and Zheng-Wen F. Elect. Commun. 8 (2006) 1855
5. Savage K.S., Stefan D., and Lehner S.W. Appl. Geochem. 23 (2008) 103
6. Amornpitoksuk P., and Suwanboon S. J. Alloys Compds. 473 (2009) 373
7. Lutz H.D., and Mller B. Phys. Chem. Miner. 18 (1991) 265
8. Bullett D.W. J. Phys. C Solid State Phys. 15 (1982) 6163-6174
9. Harmer S.L., and Nesbitt H.W. Surf. Sci. 564 (2004) 38
10. Altermatt P.P., Kiesewetter T., Ellmer K., and Tributsch H. Sol. Energy Mater. Sol. Cells 71 (2002) 181
11. Ballif C., Regula M., and Lvy F. Sol. Energy Mater. Sol. Cells 57 (1999) 189
12. Yamada A., Ho K.P., Maruyama T., and Akimoto K. Appl. Phys. A 69 (1999) 89
13. Gronvold F., and Rost E. Acta Cryst. 10 (1957) 329
14. Zacharisan W.H. Acta Cryst. 16 (1963) 1253
15. Bither T.A., Donohue P.C., and Young H.S. J. Solid State Chem. 3 (1971) 300
16. Burdett K.J., and Coddens B.A. Inorg. Chem. 27 (1988) 418
17. Singh D. Planes Waves, Pseudo-Potentials and the LAPW Method (1994), Kluwer Academic Publishers, Boston, Dortrecht, London
18. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Hvasnicka, J. Luitz, WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, Karlheinz Schwarz, Technical University, Wien, Austria, 2001.
19. Hohenberg P., and Kohn W. Phys. Rev. B 136 (1964) 864
20. Kohn W., and Sham L.J. Phys. Rev. A 140 (1965) 1113
21. Perdew J.R., and Wang Y. Phys. Rev. B 45 (1996) 13244
22. O. Madelung, U. Rössler, M. Schulz (Eds.), Semiconductors. Physics of Non-tetrahedrally Bonded Binary Compounds II, Landolt-Bornstein, Group III, vol. 41D, Springer-Verlag, Berlin, 2000
23. Hulliger F. Nature 200 (1963) 1064
24. Hulliger F. J. Phys. Chem. Solids 26 (1965) 639