Electronic structure of the high-temperature tetragonal Tl 3PbBr5 phase

Journal of Alloys and Compounds

Volumn 576, Issue , 2013, Pages 271-278

  Denysyuk, N M ^a   Bekenev, V L ^a   Karpets, M V ^a   Parasyuk, O V ^b   Danylchuk, S P ^b   Khyzhun, O Y ^a,b  

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

^b LESYA UKRAINKA EASTERN EUROPEAN NATIONAL UNIVERSITY   (Ukraine)

Author keywords

Electronic band structure; Semiconductors; X ray diffraction; X ray or gamma ray spectroscopies

Indexed keywords

ELECTRONIC STRUCTURE; ENERGY GAP; GAMMA RAY SPECTROMETERS; GAMMA RAYS; LEAD; PHOTOELECTRON SPECTROSCOPY; SEMICONDUCTOR MATERIALS; TEMPERATURE; X RAY DIFFRACTION;

ELECTRONIC BAND STRUCTURE; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; GAMMA-RAY SPECTROSCOPY; HIGH TEMPERATURE; LOW TEMPERATURES; PARTIAL DENSITIES; VALENCE BAND SPECTRA; X-RAY PHOTOELECTRONS;

VALENCE BANDS;

EID: 84878004796     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2013.04.162     Document Type: Article

References (37)

1. M. Hageman, H.-J. Weber, Appl. Phys. A 63 (1996) 67-74.
2. I.D. Olekseyuk, H.Y. Davydyuk, A.A. Fedonyuk, L.V. Sysa, A.M. Padalko, Polish J. Chem. 71 (1997) 716-720.
3. N.C. Fernelius, F.R. Hopkins, M.C. Ohmer, Proc. SPIE 3793 (1999) 2-8.
4. K. Rademaker, E. Neumann, G. Huber, S.A. Payne, W.F. Krupke, L.I. Isaenko, A. Burger, Opt. Lett. 30 (7) (2005) 729-731.
5. K. Rademaker, S.A. Payne, G. Huber, L.I. Isaenko, E. Osiac, J. Opt. Soc. Am. B 22 (2005) 2610-2618.
6. A. Ferrier, M. Velázquez, R. Moncorgé, Phys. Rev. B 77 (2008). 075122/1-11.
7. A. Ferrier, M. Velázquez, J.-L. Doualan, R. Moncorgé, J. Lumin. 129 (2009) 1905-1907.
8. P. Camy, J.-L. Doulan, A. Benayad, V. Ménard, A. Ferrier, M. Velázquez, R. Moncorgé, Proc. SPIE 7212 (2009) 721206.
9. M. Velázquez, A. Ferrier, J.-L. Doualan, R. Moncorgé, in: A.H. Al-Khursan (Ed.), Solid State Laser, InTech, Rijeka, Croatia, 2012. pp. 119-142.
10. A.Y. Tarasova, L.I. Isaenko, V.G. Kesler, V.M. Pashkov, A.P. Yelisseyev, N.M. Denysyuk, O.Y. Khyzhun, J. Phys. Chem. Solids 73 (2012) 674-682.
11. A. Ferrier, M. Velázquez, X. Portier, J.-L. Doualan, R. Moncorgé, J. Cryst. Growth 289 (2006) 357-365.
12. A. Ferrier, M. Velázquez, J.-L. Doualan, R. Moncorgé, Appl. Phys. B 95 (2009) 287-291.
13. I.I. Il'yasov, S.P. Dionisiev, A.G. Bergman, Zh. Neorg. Khim 5 (1960) 1135-1138.
14. S.P. Dionisiev, I.I. Il'yasov, A.G. Bergman, Zh. Neorg. Khim. 6 (1961) 1389-1391.
15. H.-L. Keller, D. Haueis, W. Naujokat, Rev. Chim. Miner. 18 (1981) 178-183.
16. V.B. Lazarev, E.Y. Peresh, V.V. Tsigika, V.M. Chereshnya, V.S. Dyordyai, N.P. Stasyuk, Zh. Neorg. Khim. 27 (1982) 2943-2947.
17. H.-L. Keller, Z. Anorg. Allg. Chem 482 (1981) 154-162.
18. H.-L. Keller, J. Less-Common Met. 78 (1981) 281-286.
19. O.Y. Khyzhun, V.L. Bekenev, O.V. Parasyuk, S.P. Danylchuk, N.M. Denysyuk, A.O. Fedorchuk, N. AlZayed, I.V. Kityk, Opt. Mater. 35 (2013) 1081-1089.
20. A.H. Reshak, O.Y. Khyzhun, I.V. Kityk, A.O. Fedorchuk, H. Kamarudin, S. Auluck, O.V. Parasyuk, Sci. Adv. Mater. 5 (4) (2013) 316-327.
21. P. Blaha, K. Schwarz, J. Luitz, WIEN97, A Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties, Technical University, Vienna, 1999
22. P. Blaha, K. Schwarz, P. Sorantin, S.B. Trickey, Improved and update Unixversion of the original copyrighted WIEN-code, Comput. Phys. Commun. 59 (1990) 399-415.
23. O.Y. Khyzhun, M.V. Karpets, O.K. Sinelnichenko, Metallofiz. Noveishie Tekhnol. 28 (2006) 1451-1470.
24. ftp://ftp.bam.de/Power-Cell/pcw23.exe, 2008.
25. J.P. Perdew, S. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865-3868.
26. P.E. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49 (1994) 16223-16233.
27. V.L. Bekenev, O.Y. Khyzhun, A.K. Sinelnichenko, V.V. Atuchin, O.V. Parasyuk, O.M. Yurchenko, Y. Bezsmolnyy, A.V. Kityk, J. Szkutnik, S. Całus, J. Phys. Chem. Solids 72 (2011) 705-713.
28. G. Robert, A. Pasturel, B. Siberchicot, Phys. Rev. B 68 (2003) 075109.
29. R. Atta-Fynn, A.K. Ray, Phys. Rev. B 75 (2007) 195112.
30. R. Atta-Fynn, A.K. Ray, Phys. Rev. B 76 (2007) 115101.
31. I.R. Shein, A.L. Ivanovskii, Phys. Solid State 52 (2010) 1903-1907.
32. O.Y. Khyzhun, V.L. Bekenev, V.V. Atuchin, A.K. Sinelnichenko, L.I. Isaenko, J. Alloys Comp. 477 (2009) 768-775.
33. C.J. Bradley, A.P. Cracknell, The Mathematical Theory of Symmetry in Solids, Clarendon Press, Oxford, 1972 (Fig. 3.9, p. 104).
34. A.A. Fedonyuk, PhD Thesis, Volyn National University, Lutsk, 1998.
35. M. Städele, M. Moukara, J.A. Majewski, P. Vogl, A. Görling, Phys. Rev. B 59 (1999) 10031-10043.
36. J. Kohanoff, N.I. Gidopoulos, Density functional theory: basics, new trends and applications, In: S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry, vol. 2 (Part 5), John Wiley & Sons Ltd., Chichester, 2003, pp. 532-568 (Chapter 26).
37. A.J. Cohen, P. Mori-Sánchez, W. Yang, Phys. Rev. B 77 (2008) 115123.