Ab-initio study of structural, elastic, electronic and thermodynamic properties of Ba_xSr_1−xS ternary alloys

[1] Hohenberg P., Kohn W., Phys. Rev. B, 136 (1964), 864.10.1103/PhysRev.136.B864Search in Google Scholar

[2] Kohn W., Sham L.J., Phys. Rev. A, 140 (1965), 1133.10.1103/PhysRev.140.A1133Search in Google Scholar

[3] Pandey R., Mater. Sci.+, 5 (1986), 3357.Search in Google Scholar

[4] Asano S., Yamashita N., Nakao Y., Phys. Status Solidi, 89 (1978) 663.10.1002/pssb.2220890242Search in Google Scholar

[5] Nakanishi Y., Lto T., Hatanaka Y., Shimaoka G., Appl. Surf. Sci., 66 (1992), 515.10.1016/0169-4332(93)90712-KSearch in Google Scholar

[6] Yamashita N., J. Phys. Soc. Jpn., 30 (1991), 3335.10.1143/JJAP.30.3335Search in Google Scholar

[7] Khenata R., Baltache H., Réat M., Driz M., Sahnoun M., Bouhafs B., Abbar B., Physica B, 339 (2003), 208.10.1016/j.physb.2003.07.003Search in Google Scholar

[8] Tuncel E., Colakoglu K., Deligoz E., Ciftci Y.O., J. Phys. Chem. Solids, 70 (2009), 371.10.1016/j.jpcs.2008.11.002Search in Google Scholar

[9] Bouhemadou A., Khenata R., Zegrar F., Sahnoun M., Baltache H., Reshak A.H., Comp. Mater. Sci., 38 (2006), 263.10.1016/j.commatsci.2006.03.001Search in Google Scholar

[10] Pourghazi A., Dadsetani M., Physica B, 370 (2005), 35.10.1016/j.physb.2005.08.032Search in Google Scholar

[11] Labidi S., Meradji H., Labidi M., Ghemid S., Drablia S., El Haj Hassan F., Phys Procedia, 2 (2009), 1205.10.1016/j.phpro.2009.11.083Search in Google Scholar

[12] Souadkia M., Bennecer B., Kalarasse F., Mellouki A., Comp. Mater. Sci., 50 (2011), 1701.10.1016/j.commatsci.2010.12.031Search in Google Scholar

[13] Syassen K., Phys. Status Solidi A, 91 (1985), 11.10.1002/pssa.2210910102Search in Google Scholar

[14] Zhang S., Li H., Zhou S., Cao X., J. Phys. Chem. B, 111 (2007), 1304.10.1021/jp065153917286351Search in Google Scholar

[15] Kalpana G., Palanivel B., Rajagopalan M., Phys. Rev. B, 50 (1994), 12318.10.1103/PhysRevB.50.123189975390Search in Google Scholar

[16] Blaha P., Schwarz K., Madsen G.K.H., Kvasnicka D., Luitz J., WIEN2K, An Augmented Plane Wave Plus Local Orbitals Program For Calculating Crystal Properties, Karlheinz Schwars, Techn. Universitat, Wien, 2001.Search in Google Scholar

[17] Perdew J.P., Burke K., Ernzerhof M., Phys. Rev. Lett., 77 (1996), 3865.10.1103/PhysRevLett.77.386510062328Search in Google Scholar

[18] Tran F., Blaha P., Phys. Rev. Lett., 102 (2009), 226401.10.1103/PhysRevLett.102.22640119658882Search in Google Scholar

[19] Murnaghan F.D., P. Natl. Acad. Sci. USA, 30 (1944), 5390.10.1073/pnas.30.9.244107870416588651Search in Google Scholar

[20] Shaukat A., Saeed Y., Nazir S., Ikram N., Tanveen M., Physica B, 404 (2009), 3964.10.1016/j.physb.2009.07.147Search in Google Scholar

[21] Chen Z.J., Xiaa H.Y., Zua X.T., Physica B, 391 (2007), 193.10.1016/j.physb.2006.09.019Search in Google Scholar

[22] Xiao-Cui Y., Ai-Min H., Jie Y., Yong-Hao H., Gang P., Chun-Xiao G., Guang-Tian Z., Chinese Phys. Lett., 25 (2008), 1807.10.1088/0256-307X/25/5/077Search in Google Scholar

[23] Ameri M., Boudia K., Rabhi A., Benaissa S., Al-Douri Y., Rais A., Hachemane D., Mater. Sci. Appl., 3 (2012), 861.10.4236/msa.2012.312126Search in Google Scholar

[24] Yamaoka S., Shimomuro O., Nakazawa H., Fukunaga O., Solid State Commun., 33 (1980), 87.10.1016/0038-1098(80)90702-4Search in Google Scholar

[25] Feng Z., Hu H., Cui S., Wang W.J., Physica B, 404 (2009), 2107.10.1016/j.physb.2008.11.201Search in Google Scholar

[26] Drablia S., Meradji H., Ghemid S., Nouet G., El Haj Hassan F., Comp. Mater. Sci., 46 (2009), 376.10.1016/j.commatsci.2009.03.013Search in Google Scholar

[27] El Haj Hassan F., Akbarzadeh H., Comp. Mater. Sci., 38 (2006), 362.10.1016/j.commatsci.2005.09.012Search in Google Scholar

[28] Lin G.Q., Gong H., Wu P., Phys. Rev. B, 71 (2005), 85203.10.1103/PhysRevB.71.085203Search in Google Scholar

[29] Vegard L., Z. Phys. Chem., 5 (1921), 17.10.1007/BF01349680Search in Google Scholar

[30] Cheng Y., Lu L.-Y., Jia O.-H., Gou Q.-Q., Commun. Theor. Phys., 49 (2008), 1611.Search in Google Scholar

[31] Bhardwaj P., Singh S., Measurement, 46 (2013), 1161.10.1016/j.measurement.2012.11.004Search in Google Scholar

[32] Gökoğlu G., J. Phys. Chem. Solids., 69 (2008), 2924.10.1016/j.jpcs.2008.08.012Search in Google Scholar

[33] Abo-Hassan K.M.M., Muhamad M.R., Radhakrishna S., Thin Solid Films, 491 (2005), 117.10.1016/j.tsf.2005.05.045Search in Google Scholar

[34] Kaneko Y., Koda T., J. Cryst. Growth, 86 (1988), 72.10.1016/0022-0248(90)90701-LSearch in Google Scholar

[35] Shaukat A., Saeed Y., Nazir S., Ikram N., Tanveen M., Physica B, 404 (2009), 3964.10.1016/j.physb.2009.07.147Search in Google Scholar

[36] Charifi Z., Baaziz H., El Haj Hassan F., Bouarissa N., J. Phys.-Condens. Mat., 17 (2005), 4083.10.1088/0953-8984/17/26/008Search in Google Scholar

[37] Bachelet G.B., Christensen N.E., Phys. Rev. B, 31 (1985), 879.10.1103/PhysRevB.31.8799935831Search in Google Scholar

[38] Zolweg R.J., Phys. Rev., 11 (1958), 113.10.1071/PH580113Search in Google Scholar

[39] Kaneko Y., Morimoto K., Koda T., J. Ceram. Soc. Jpn., 52 (1985), 4385.10.1143/JPSJ.52.4385Search in Google Scholar

[40] Kalpana G., Palanivel B., Rajagopalon M., Phys. Rev. B, 50 (1994), 12318.10.1103/PhysRevB.50.123189975390Search in Google Scholar

[41] Singh H., Singh M., Kumar S., Kashyap M.K., Physica B, 406 (2011), 3825.10.1016/j.physb.2011.07.004Search in Google Scholar

[42] Bernard J.E., Zunger A., Phys. Rev. Lett., 34 (1986), 5992.10.1103/PhysRevB.34.5992Search in Google Scholar

[43] Swalin R.A., Thermodynamics of Solids, Wiley, New Work, 1972.Search in Google Scholar

[44] Teles L.K., Furthmuller J., Scolfaro L.M.R., Leite J.R., Bechstedt F., Phys. Rev. B, 62 (2000), 2475.10.1103/PhysRevB.62.2475Search in Google Scholar