Electronic structure of quaternary chalcogenide Ag2In2Ge(Si)S6 single crystals and the influence of replacing Ge by Si: Experimental X-ray photoelectron spectroscopy and X-ray diffraction studies and theoretical calculations

Science of Advanced Materials

Volumn 5, Issue 4, 2013, Pages 316-327

  Reshak, A H ^a,b   Khyzhun, O Y ^c   Kityk, I V ^d,g   Fedorchuk, A O ^e   Kamarudin, H ^b   Auluck, S ^f   Parasyuk, O V ^g  

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

^c FRANTSEVICH INSTITUTE FOR PROBLEMS OF MATERIALS SCIENCE   (Ukraine)

^d CZESTOCHOWA UNIVERSITY OF TECHNOLOGY   (Poland)

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

^f NATIONAL CHEMICAL LABORATORY   (India)

^g LESYA UKRAINKA EASTERN EUROPEAN NATIONAL UNIVERSITY   (Ukraine)

Author keywords

Chalcogenide quaternary sulfides; DFT; XPS; XRD

Indexed keywords

EID: 84880390712     PISSN: 19472935     EISSN: 19472943     Source Type: Journal    
DOI: 10.1166/sam.2013.1460     Document Type: Article

References (21)

1. J. W. Lekse, M. A. Moreau, K. L. McNerny, J. Yeon, P. S. Halasyamani, and J. A. Aitken, Inorg. Chem. 48, 7516 (2009).
2. J. W. Lekse, B. M. Leverett, C. H. Lake, and J. A. Aitken, J. Solid State Chem. 181, 3217 (2008).
3. H. Matsushita and A. Katsui, J. Phys. Chem. Solids 66, 1933 (2005).
4. T. K. Todorov, K. B. Reuter, and D. B. Mitzi, Adv. Mater. 22, E156 (2010).
5. Z. Zhou, Y. Wang, D. Xu, and Y. Zhang, Sol. Energy Mater. Sol. Cells 94, 2042 (2010).
6. G. E. Davydyuk, G. L. Myronchuk, I. V. Kityk, S. P. Danyl'chuk, V. V. Bozhko, and O. V. Parasyuk, Opt. Mater. 33, 1302 (2011).
7. O. V. Parasyuk, L. V. Piskach, Y. E. Romanyuk, I. D. Olekseyuk, V. I. Zaremba, and V. I. Pekhnyo, J. Alloys Compd. 397, 85 (2005).
8. A. O. Fedorchuk, G. P. Gorgut, O. V. Parasyuk, G. Lakshminarayana, I. V. Kityk, and M. Piasecki, J. Phys. Chem. Solids 72, 1354 (2011).
9. V. P. Sachanyuk, G. P. Gorgut, V. V. Atuchin, I. D. Olekseyuk, and O. V. Parasyuk, J. Alloys Compd. 452, 348 (2008).
10. M. Chmiel, M. Piasecki, G. Myronchuk, G. Lakshminarayana, A. H. Reshak, O. G. Parasyuk, Yu. Kogut, and I. V. Kityk, Spectrochim. Acta Part A 91, 48 (2012).
11. S. Gao, Comput. Phys. Commun. 153, 190 (2003).
12. K. Schwarz, J. Solid State Chem. 176, 319 (2003).
13. V. P. Sachanyuk, Doctoral Thesis "Phase Equilibria and Properties in the Quasi-ternary Systems Formed by the Chalcogenides of 3d- and Ib, IIb, IIIa, IVa,b Elements," L'viv National University, L'viv (2008).
14. Y. Kogut, O. Y. Khyzhun, O. V. Parasyuk, A. H. Reshak, G. Lakshminarayama, I. V. Kityk, and M. Piasecki, J. Cryst. Growth 354, 142 (2012).
15. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K, an augmented plane wave+local orbitals program for calculating crystal properties, Karlheinz Schwarz, Techn. Universitat, Wien, Austria, ISBN 3-9501031-1-2 (2001).
16. J. P. Perdew, S. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
17. D. M. Ceperley and B. I. Ader, Phys. Rev. Lett. 45, 566 (1980); Parametrized in J. P. Perdew and A. Zunger, Phys. Rev. B 8, 4822 (1973).
18. E. Engel and S. H. Vosko, Phys. Rev. B 47, 13164 (1993).
19. F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009).
20. A. H. Reshak, D. Stys, S. Auluck, and H. Kamarudin, Materials Chem. Phys. 130, 458 (2011).
21. O. V. Parasyuk, A. O. Fedorchuk, G. P. Gorgut, O. Y. Khyzhun, A. Woiciechowski, and I. V. Kityk, Opt. Mater. 35, 65 (2012).