Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds

Journal of Alloys and Compounds

Volumn 546, Issue , 2013, Pages 14-19

  Reshak, A H ^a,b,c   Kityk, I V ^c,d   Ebothe, J ^e   Fedorchuk, A O ^f   Fedyna, M F ^g   Kamarudin, H ^b   Auluck, S ^h  

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

^c CZESTOCHOWA UNIVERSITY OF TECHNOLOGY   (Poland)

^d LESYA UKRAINKA EASTERN EUROPEAN NATIONAL UNIVERSITY   (Ukraine)

^e UNIVERSITÉ DE REIMS CHAMPAGNE ARDENNE   (France)

^f LVIV NATIONAL UNIVERSITY OF VETERINARY MEDICINE AND BIOTECHNOLOGIES   (Ukraine)

^g UKRAINIAN NATIONAL FORESTRY UNIVERSITY   (Ukraine)

^h NATIONAL PHYSICAL LABORATORY   (India)

Author keywords

DFT calculations; Electronic band structure; Electronic charge density; ZrGa2; ZrGa2 compounds

Indexed keywords

DFT CALCULATION; ELECTRONIC BAND STRUCTURE; ELECTRONIC CHARGE DENSITY; ZRGA2; ZRGA2 COMPOUNDS;

DENSITY FUNCTIONAL THEORY; OPTICAL CONDUCTIVITY; OPTICAL CONSTANTS;

DISPERSIONS;

EID: 84866519144     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.08.073     Document Type: Article

References (21)

1. A.O. Fedorchuk, O.V. Parsyuk, I.V. Kityk, in: VI International conference "Relaxation, nonlinear and acoustical processes and materials", Lutsk-Szatsk, 2012, pp. 183-185.
2. A. Fedorchuk Communication About the New Crystallochemistry Methods 2012 Lviv Ukraine
3. A.O. Fedorchuk, M.M. Fedyna, I.V. Kityk, Second Coordination Sphere for Characterization of Crystallochemistry Affinity, Volyn University, Lutsk, 2012.
4. M. Potzschke, and K.Z. Schubert Metallkd. Bd. 53 1962 S.474 S.488
5. H. Wallbaum, Z. Metallkd. Bd. 34 (1942) S118-S119.
6. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2K, "an Augmented Plane Wave + Local orbitals program for calculating crystal properties", Karlheinz Schwarz, Techn. Universitat, Wien, Austria, 2001. ISBN 3-9501031-1-2.
7. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 864 871
8. D.M. Ceperley, B.I. Ader, Phys. Rev. Lett. 45 (1980) 566-569; parametrized in J.P. Perdew, A. Zunger, Phys. Rev. B 8 (1973) 4822-4832.
9. J.P. Perdew, S. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865 3868
10. E. Engel, and S.H. Vosko Phys. Rev. B 47 1993 13164 13174
11. A.H. Reshak, D. Stys, S. Auluck, and H. Kamarudin Mater. Chem. Phys. 130 2011 458
12. F. Wooten, Optical Properties of Solids, Academic Press, New York and London, 1972.
13. B. Chakraborty, W.E. Pickett, and P.B. Allen Phys. Rev. B 14 1972 3227
14. A.H. Reshak, Ph.D. thesis, Indian Institute of Technology-Rookee, India, 2005.
15. H. Tributsch Z. Naturforsch. A 32A 1977 972
16. P.A. van Aken, T. Hoche, F. Heyroth, R. Keding, R. Uecker, Phys. Chem. Miner. 31 (2004) 543-552.
17. R.F. Egerton, Electron Energy Loss Spectroscopy in the Electron Microscope, Plenum Press, New York, 1996; P. Schattschneider, B. Jouffrey, in: L. Reimer (Ed.), Energy-Filtering Transmission Electron Microscopy, Springer, 1995, p. 151; H. Raether, Excitation of Plasmons and Interband Transitions by Electrons, Springer-Verlag, Berlin, 1980.
18. A. Schleife, C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt Phys. Rev. B 80 2009 035112
19. S. Loughin, R.H. French, L.K. De Noyer, W.-Y. Ching, and Y.-N. Xu J. Phys. D: Appl. Phys. 29 1996 1740
20. K. Nouneh, A.H. Reshak, S. Auluck, I.V. Kityk, R. Viennois, S. Benet, and S. Charar J. Alloys Compd. 437 2007 39 46
21. Ya.O. Dovgii, I.V. Kityk, M.I. Kolinko, A.S. Krochuk, A.V. Franiv, M.K. Zamorskii. Phys. Stat. Sol. 167B (1991) 637-646.