First-principles study of structural, electronic and elastic properties under pressure of calcium chalcogenides

Ruoff, 1985 Luo, 1994, Phys. Rev. B, 50, 16232, 10.1103/PhysRevB.50.16232 Zimmer, 1985, Phys. Rev. B, 32, 4066, 10.1103/PhysRevB.32.4066 Cortona, 1998, J. Phys: Condens. Matter, 10, 8947 Marinelli, 2003, Chem. Phys. Lett., 367, 430, 10.1016/S0009-2614(02)01698-6 Straub, 1989, Phys. Rev. B, 39, 10325, 10.1103/PhysRevB.39.10325 Savrasov, 1996, Phys. Rev. B, 54, 16470, 10.1103/PhysRevB.54.16470 Savrasov, 1992, Phys. Rev. B, 46, 12181, 10.1103/PhysRevB.46.12181 Perdew, 1992, Phys. Rev. B, 46, 12947, 10.1103/PhysRevB.46.12947 Cervantes, 1988, Phys. Rev. B, 58, 9793, 10.1103/PhysRevB.58.9793 Pandey, 1991, J. Phys. Chem. Solids, 52, 211, 10.1016/0022-3697(91)90066-9 Yamaoka, 1980, Solid State Commum., 33, 87, 10.1016/0038-1098(80)90702-4 Wills, 1987, Phys. Rev. B, 36, 389, 10.1103/PhysRevB.36.3809 Blochl, 1994, Phys. Rev. B, 49, 16223, 10.1103/PhysRevB.49.16223 Murnaghan, 1944, Proc. Nat. Acad. Sci. USA, 30 Mehl, 1990, Phys. Rev. B, 41, 10311, 10.1103/PhysRevB.41.10311 Mehl, 1994, 195 Kalpana, 1994, Phys. Rev. B, 50, 12318, 10.1103/PhysRevB.50.12318 Von Barth, 1972, J. Phys. Chem. C, 5, 1629 Khachai, 2008, Solid State Commun., 147, 178, 10.1016/j.ssc.2008.05.028