Insight into the structural, elastic and electronic properties of tetragonal inter-alkali metal chalcogenides CsNaX (X=S, Se, and Te) from first-principles calculations
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Sabrowsky, 1982, Z. Naturforsch. B., 37, 818, 10.1515/znb-1982-0704
Sabrowsky, 1985, Z. Naturforsch. B., 40, 1759, 10.1515/znb-1985-1229
Sabrowsky, 1987, Z. Anorg. Allg. Chem., 546, 169, 10.1002/zaac.19875460318
Hitzbleck, 1989, Z. Naturforsch. B., 44, 1602, 10.1515/znb-1989-1224
Bronger, 1989, J. Less Common Met., 156, 43, 10.1016/0022-5088(89)90405-0
Sabrowsky, 1989, Z. Naturforsch. B., 44, 893, 10.1515/znb-1989-0806
Hitzbleck, 1989, Z. Naturforsch. B., 44, 1607, 10.1515/znb-1989-1224
Hippler, 1990, Acta Crystallogr. C, 46, 1596, 10.1107/S0108270190000075
Sabrowsky, 1992, Z. Anorg. Allg. Chem., 616, 183, 10.1002/zaac.19926161029
Sabrowsky, 1993, Z. Naturforsch. B., 48, 1837, 10.1515/znb-1993-1223
Fischer, 1996, Z. Naturforsch. B., 51, 1576, 10.1515/znb-1996-1107
Winter, 1996, Z. Anorg. Allg. Chem., 622, 1311, 10.1002/zaac.19966220806
Liebig, 2016, Allg.Chem., 642, 66, 10.1002/zaac.201500693
Blaha, 2016
Hohenberg, 1964, Phys. Rev. B, 136, 864, 10.1103/PhysRev.136.B864
Kohn, 1965, Phys. Rev., 140, 1133, 10.1103/PhysRev.140.A1133
Wu, 2006, Phys. Rev. B, 73
Engel, 1993, Phys. Rev. B, 47
Tran, 2009, Phys. Rev. Lett., 102, 226401, 10.1103/PhysRevLett.102.226401
Blöchl, 1994, Phys. Rev. B Condens. Matter, 49, 16223, 10.1103/PhysRevB.49.16223
Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188
Birch, 1938, J. Appl. Phys., 9, 279, 10.1063/1.1710417
Seddik, 2012, Comput. Mater. Sci., 61, 206, 10.1016/j.commatsci.2012.04.020
Aley-e-Abbas, 2011, J. Mater. Sci., 46, 1027, 10.1007/s10853-010-4868-7
Aley-e-Abbas, 2010, J. Alloy. Comp., 503, 10, 10.1016/j.jallcom.2010.05.014
Shaukat, 2008, Eur. Phys. J. B, 62, 439, 10.1140/epjb/e2008-00193-x
Tran, 2007, Phys. Rev. B, 75, 10.1103/PhysRevB.75.115131
Reshak, 2013, Int. J. Electrochem. Sci., 8, 12252, 10.1016/S1452-3981(23)13261-5
Born, 1940, Proc. Camb. Phil. Soc., 36, 160, 10.1017/S0305004100017138
Gao, 2014, J. Alloy. Comp., 587, 819, 10.1016/j.jallcom.2013.11.005
Hill, 1952, Proc. Phys. Soc., London, Sect. A, 65, 349, 10.1088/0370-1298/65/5/307
Voigt, 1928
Reuss, 1929, Math. Mech., 9, 49
Ozisik, 2013, Chin. Phys. B, 4
Shein, 2008, J. Phys. Condens. Matter, 20, 10.1088/0953-8984/20/41/415218
Teter, 1998, MRS Bull., 23, 22, 10.1557/S0883769400031420
Korozlu, 2013, J. AlloysComp., 546, 157, 10.1016/j.jallcom.2012.08.062
Pugh, 1954, Phil. Mag., 45, 823, 10.1080/14786440808520496
Frantsevich, 1983, Elastic constants and elastic moduli of metals and insulators, 60
Haines, 2001, Annu. Rev. Matter. Res., 31, 1, 10.1146/annurev.matsci.31.1.1
Shein, 2009, Phys. Solid State, 51, 1608, 10.1134/S1063783409080149
Deligoz, 2008, Chin. Phys. Lett., 25, 2154, 10.1088/0256-307X/25/6/063
Leibfried, 1961, G. Solid State Phys, 12, 275, 10.1016/S0081-1947(08)60656-6
Johnston, 1996
Anderson, 1963, J. Phys. Chem. Solid., 24, 909, 10.1016/0022-3697(63)90067-2
Schreiber, 1973
Tvergaard, 1988, J. Am. Chem. Soc., 71, 157
Miao, 2011, Comput. Mater. Sci., 50, 1559, 10.1016/j.commatsci.2010.12.015
Ranganathan, 2008, Phys. Rev. Lett., 101, 10.1103/PhysRevLett.101.055504
Landau, 1980
Royer, 1996, vol. 1
Nye, 1985, 145
Duan, 2014, J. Alloy. Comp., 614, 334, 10.1016/j.jallcom.2014.06.100
Becke, 1990, J. Chem. Phys., 92, 5397, 10.1063/1.458517
Bader, 1990
Mori-Sa´nchez, 2002, J. Am. Chem. Soc., 124, 14721, 10.1021/ja027708t
Guedda, 2016, Phys. Chem. Chem. Phys., 18, 8132, 10.1039/C6CP00081A