PL EN


Preferences help
enabled [disable] Abstract
Number of results
2013 | 124 | 1 | 102-107
Article title

Physical Properties of CsSnM_3 (M = Cl, Br, I): A First Principle Study

Content
Title variants
Languages of publication
EN
Abstracts
EN
First principle calculations are carried out to investigate the structural, electronic and optical properties of cubic perovskites CsSnM_3 (M = Cl, Br, I). The theoretically calculated lattice constants are found to be in good agreement with the experimentally measured values as compared to previous calculations. It is found that these perovskites are direct band gap semiconductors. The electrons densities reveal strong ionic bonding between Cs and halide cations while strong covalent bonding between Sn and halide cations. Optical properties of these compounds like real and imaginary parts of the dielectric functions, refractive indices, extinction coefficients, reflectivities, optical conductivities and absorption coefficients are calculated. The direct band gap nature and high absorption power of these compounds in the infrared, visible and ultraviolet energy range predicts that these perovskites can be used in optical and optoelectronic devices working in this range of the spectrum.
Keywords
EN
Contributors
author
  • Materials Modeling Lab, Department of Physics, Hazara University, Mansehra, Pakistan
author
  • Department of Physics, Islamia College University, Peshawar, Pakistan
author
  • Materials Modeling Lab, Department of Physics, Hazara University, Mansehra, Pakistan
author
  • Department of Physics, Islamia College University, Peshawar, Pakistan
author
  • Department of Physics, Islamia College University, Peshawar, Pakistan
author
  • Materials Modeling Lab, Department of Physics, Hazara University, Mansehra, Pakistan
References
  • [1] N. Mathur, P. Littlewood, Phys. Today 56, 25 (2003)
  • [2] S. Moskvin, A.A. Makhnev, L.V. Nomerovannaya, N.N. Loshkareva, A.M. Balbashov, Phys. Rev. B 82, 035106 (2010)
  • [3] C. Weeks, M. Franz, Phys. Rev. B 82, 085310 (2010)
  • [4] G. Murtaza, Iftikhar Ahmad, B. Amin, A. Afaq, M. Maqbool, J. Maqssod, I. Khan, M. Zahid, Opt. Mater. 33, 553 (2011)
  • [5] C.R. Kagan, D.B. Mitzi, C.D. Dimitrakopoulos, Science 286, 945 (1999)
  • [6] H. Klauk, Phys. World 13, 18 (2000)
  • [7] G. Murtaza, Iftikhar Ahmad, Physica B 406, 3222 (2011)
  • [8] G. Murtaza, Iftikhar Ahmad, M. Maqbool, H.A. Rahnamaye Aliabad, A. Afaq, Chin. Phys. Lett. 28, 117803 (2011)
  • [9] B. Ghebouli, M.A. Ghebouli, M. Fatmi, A. Bouhemodou, Solid State Commun. 150, 1896 (2010)
  • [10] S. Clark, C. Flint, J. Donaldson, Phys. Chem. Solids 42, 133 (l981)
  • [11] A.S. Voloshinovskii, S.V. Myagkota, N.S. Pidzyrailo, M.V. Tokarivskii, J. Appl. Spectr. 60, 226 (1994)
  • [12] J.D. Donaldson, R.M.A. Grimsey, S.J. Clark, J. Phys. (France) 40, 289 (1979)
  • [13] J.D. Donaldson, J. Silver, S. Hadjeminolis, S.D. Ross, J. Chem. Soc. Dalton, 1503 (1975)
  • [14] S.K. Rose, S. Satpathy, O. Jepsen, Phys. Rev. B 47, 4276 (1993)
  • [15] I. Lefebvre, P.E. Lippens, M. Lannoo, G. Allan, Phys. Rev. B 42, 9174 (1990)
  • [16] D.E. Parry, M.J. Tricker, J.D. Donaldson, J. Solid State Chem. 28, 401 (1979)
  • [17] J.C. Zheng, A.C.H. Huan, A.T.S. Wee, M.H. Kuok, Surf. Interface Anal. 28, 81 (1999)
  • [18] A.S. Verma, A. Kumar, S.R. Bhardwaj, Phys. Status Solidi B 245, 1520 (2008)
  • [19] K. Shum, Z. Chen, J. Qureshi, C. Yu Jian, J. Wang, W. Pfenninger, N. Vockic, J. Midgley, J.T. Kenney, Appl. Phys. Lett. 96, 221903 (2010)
  • [20] M.G. Brik, Solid State Commun. 151, 1733 (2011)
  • [21] D. Scaife, P. Weller, W. Fisher, J. Solid State Chem. 9, 308 (1974)
  • [22] P. Mauersberger, F. Huber, Acta Crystallogr. B 36, 683 (1980)
  • [23] K. Yamada, S. Funabiki, H. Horimoto, T. Matsui, T. Okuda, S. Ichiba, Chem. Lett. 20, 801 (1991)
  • [24] J.F. Chabot, M. Côté, J.F. Brière, APS Meeting Abstracts, Vol. 1, 2004, p. 11011
  • [25] I. Chung, J.H. Song, J. Im, J. Androulakis, C.D. Malliakas, H. Li, A.J. Freeman, J.T. Kenney, M.G. Kanatzidis, J. Am. Chem. Soc. 134, 8579 (2012)
  • [26] Z. Wu, R.E. Cohen, Phys. Rev. B 73, 235116 (2006)
  • [27] P. Blaha, K. Schwarz, G. Madson, D. Kvasnicka, J. Luitz, User's Guide, WIEN2k, Vienna University of Technology Austria (2002)
  • [28] W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965)
  • [29] J.L. Erskine, E.A. Stern, Phys. Rev. Lett. 30, 1329 (1973)
  • [30] F. Birch, Phys. Rev. 71, 809 (1947)
  • [31] D.K. Seo, N. Gupta, M.H. Whangbo, H. Hillebrecht, G. Thiele, Inorg. Chem. 37, 407 (1998)
  • [32] D.E. Parry, M.J. Tricker, J.D. Donaldson, J. Solid State Chem. 28, 401 (1979)
  • [33] J.C. Zheng, C.H.A. Huan, A.T.S. Wee, M.H. Kuok, Surf. Interface Anal. 28, 81 (1999)
  • [34] H. Jin, J. Im, A.J. Freeman, Phys. Rev. B 86, 121102 (2012)
  • [35] R. Hoffman, Rev. Mod. Phys. 60, 801 (1988)
  • [36] B. Xu, X. Li, J. Sun, L. Yi, Eur. Phys. J. B 66, 483 (2008)
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv124n120kz
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.