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A DFT study of BeX (X=S, Se, Te) semiconductor: modified Becke Johnson (mBJ) potential

Rai D.P.^1,2, Ghimire M.P.³, Thapa R.K.²

¹Beijing Computational Science Research Center, Beijing, People's Republic of China
²Dept. of Physics, Mizoram University, Aizawl, Indi
³MANA, National Institute for Material Sciences, Tsukuba, Japan

Поступила в редакцию: 25 февраля 2014 г.

Выставление онлайн: 20 октября 2014 г.

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The electronic, optical and elastic properties of BeX were performed within full potential liberalized augmented plane wave method based on density functional theory (DFT). Generalized gradient approximation (GGA) and modified Becke Johnson (TB-mBJ) potential were used for exchange correlation. The mBJ gives improved band gap as compare to GGA and in close agreement with the experimental results. The present band gaps of BeS, BeSe and BeTe calculated within mBJ are 4.40, 4.0 and 2.40 eV respectively.

C.M.I. Okoye. Eur. Phys. J. B, 39, 5 (2004)
D. Heciri, L. Beldi, S. Drablia, H. Meradji, N.E. Derradji, H. Belkhir, B. Bouhafs. Comp. Mater. Sci., 38, 609 (2007)
I. Khan, I Ahmad, D. Zhang, H.A. Rahnamaye, C.J. Asadabadi. J. Phys. Chem. Sol. 74, 181 (2013)
L. Guo, Ge Hu, S. Zhang, W. Feng, Z. Zhang. J. Alloys Comp., 561, 16 (2013)
J.C. Phillips, Van Vachten. Phys. Rev. Lett., 23, 1115 (1969)
B. Bouhafs, H. Aourag, M. Ferhat, M. Certier. J. Phys: Condens. Matter, 12, 5655 (2000)
D.J. Stukel. Phys. Rev B, 2, 1852 (1970)
R.L. Sarkar, S. Chatterjee. J. Phys. C, 10, 57 (1977)
M.G. Diaz, P.R. Hernandez, A. Munoz. Phys. Rev. B, 55, 14 043 (1997)
A. Munoz, P.R. Hernandez, A. Mujica. Phys. Sol., 198, 439 (1996)
G. Kalpana, G. Pari, A. Mookerjee, A. K. Bhattacharyya. Int. J. Mod. Phys. B, 12, 1975 (1998)
A. Fleszar, W. Hanke. Phys. Rev. B, 62, 2466 (2000)
S. Doyen-Lang, O. Pages, L. Lang, J. Hugel. Phys. Status Solidi B, 229, 563 ( 2002)
W.M. Yim, J.B. Dismakes, E.J. Stofko, R.J. Paff. J. Phys. Chem. Sol., 33, 501 (1972)
J.A. Vechten. Phys. Rev., 187, 1007 (1969)
A. Waag, F. Fischer, H.J. Lugauer, Th. Litz, J. Laubender, U. Lunz, U. Zhender, W. Ossau, T. Gerhardt, M. Moller, G. Landwehr, J. Appl. Phys., 80, 792 (1996)
J.P. Perdew, K. Burke, M. Ernzerhof. Phys. Rev. Lett., 77, 3865 (1996)
F. Aryasetiawan, O. Gunnarssson. Rep. Progr. Phys., 61, 237 (1998)
L.J. Sham, M. Schluter. Phys. Rev. Lett., 51, 1888 (1983)
A.D. Becke, M.R. Roussel. Phys. Rev. A, 39, 3761 (1989)
F. Tran, P. Blaha. Phys. Rev. Lett., 102, 226 401 (2009)
D. Koller, F. Tran, P. Blaha. Phys. Rev. B, 83, 195 134 (2011)
M. Yousaf, M.A. Saeed, R. Ahmed, M.M. Alsardia, A. Radzi, A. Shaari. Commun. Theor. Phys., 58 777 (2012)
R.B. Araujo, J.S. de Almeida, A.F. da Silva. J. Appl. Phys., 114, 183 702 (2013)
S.D. Guo, B.G. Liu. Europhys. Lett., 93, 47 006 (2011)
W. Al-Sawai, H. Lin, R.S. Markiewicz, L.A. Wray, Y. Xia, S.Y. Xu, M.Z. Hasan, A. Bansil. Phys. Rev. B, 82, 125 208 (2010)
P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, K. Schwarz. An Augmented Plane Wave plus Local Orbitals Program for Calculating Crystal Properties. Wien2K User's Guide, Techn. Universitat Wien (Wien, 2008)
F.D. Murnaghan. Proc. Natl. Acad. Sci. USA, 30, 244 (1944)
S.H. Wei, A. Zunger. Phys. Rev. B, 53, R10457 (1996)
R. Khenata et al. Sol. St. Electron., 50, 1382 (2006)
I. Ajmad, B. Amin, M. Maqbool, S. Muhammad, G. Murtaza, S. Ali, A. Noor. Chin. Phys. Lett., 29 (9), 097 102 (2012)
B. Amin, I. Ahmad, M. Maqbool, S. Goumrisaid, R. Ahmad. J. Appl. Phys., 109, 023 109 (2011)
F. Wooten. Optical Properties of Solids (Academic Press, N. Y., 1972)
M. Fox. Optical Properties of Solids (Oxford, Oxford University Press, 2001)
D. Penn. Phys. Rev. B, 128, 2093 (1962)
C. Becker et al. Proc. 23^rd int. conf. on Physics of Semiconductor (Berlin-Singapore, World Scientific, 1996)
J. Geurts et al. Proc. 24^th int. conf. on Physics of Semiconductor (Singapore-Jerusalam, World Scientific, 1998)
V.T. Vergaard, J.W. Hutshinson, J. Am. Ceram. Soc., 71, 157 (1988)
B. Mayer, H. Anton, E. Bott, M. Methfessel, J. Stricht, P.C. Schmidt. Intermettalics, 11, 23 (2003)
W. Voigt. Lehrburch der Kristallphysik (Teubner, Leipzig, 1928)
A. Reuss, Z. Angew. Math. Mech., 9, 49 (1929)
W.A. Harisson. Electronic Structures and Properties of solids (Dover, N. Y., 1989)
P.H. Mott, J.R. Dorgan, C.M. Roland. J. Sound and Vibrations, 312, 572 (2008)
V.V. Bannikov, I.R. Shein, A.L. Ivanovskii. Phys. Status Solidi. Rapid Res. Lett., 3, 89 (2007)
I.N. Frantsevich, F.F. Voronov, S.A. Bokuta. Elastic Constants and Elastic Moduli of Metals and Insulators Handbook, ed. by I.N. Frantsevich (Naukova Dumka, Kiev, 1983) p. 60
S.F. Pugh. Philos. Mag., 45, 823 (1954)
Xing-Qiu Chen, Haiyang Niu, Dianzhong Li, Yiyi Li. Intermetallics, 19, 1275 (2011)
J.J. Gilman. Hardness-a Strength Miroprobe, Chap. 4 of The Science of Hardness Testing and Its research Applications, eds J.H. Westbrook, H. Conrad (Ohio, USA, American Society of Metal, Metal Park, 1973)
D.G. Pettifor. Mater. Sci. Technol., 8, 345 (1992)
P.F. Yuan, Z.J. Ding. Physica B, 403, 1996 (2008)
A. Bouhemadou, R. Khanate, M. Kharoubi, T. Seddik, A.H. Reshak, Y.A. Douri. Comput. Mater. Sci., 45, 474 (2009)
C. Narayana, V.J. Nesamony, A. Ruoff. Phys. Rev. B, 56, 14 338 (1997)
F.E.H. Hassan, H. Akbarzadeh. Comput. Mater. Sci., 35, 423 (2006)
H. Luo, K. Chandehari, R.G. Green, A. Ruoff, S.S. Trailand, F.J. Di Salvo. Phys. Rev. B, 2, 1852 (1970)
J.R. Christman. Fundamentals of Solid State Physics (Wiley, N. Y., 1988)
O.L. Anderson. J. Phys. Chem. Sol., 24, 909 (1963)
E. Schreibe, O.L. Anderson, N. Soga. Elastic Constants and their Measurements (Mc Graw-Hill, N. Y., 1973).

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