Ab initio study of Ti3Si0.5Ge0.5C2 under pressure

Journal of Physics and Chemistry of Solids - Tập 67 - Trang 2149-2153 - 2006
W. Orellana1, G. Gutiérrez1, E. Menéndez-Proupin1, J. Rogan1, G. García2, B. Manoun3, S. Saxena3
1Departamento de Física, Facultad de Ciencias, Universidad de Chile Casilla 653, Santiago, Chile
2Facultad de Física, P. Universidad Católica de Chile, Casilla 307, Santiago 2, Chile
3Center for Study of Matter at Extreme Conditions (CeSMEC), Florida International University, VH-140, University Park, Miami, FL 33199, USA

Tài liệu tham khảo

Barsoum, 2000, Prog. Solid. St. Chem., 28, 201, 10.1016/S0079-6786(00)00006-6 Finkel, 2004, Phys. Rev. B, 70, 085104, 10.1103/PhysRevB.70.085104 Wang, 2003, J. Phys.: Condens. Matter, 15, 1983, 10.1088/0953-8984/15/12/315 Zhou, 2000, J. Phys.: Condens. Matter, 12, L457, 10.1088/0953-8984/12/28/102 Holm, 2001, Appl. Phys. Lett., 79, 1450, 10.1063/1.1392981 Zhou, 2001, J. Phys.: Condens. Matter, 13, 10001, 10.1088/0953-8984/13/44/313 Wang, 2004, Phys. Rev. B, 69, 144108, 10.1103/PhysRevB.69.144108 Palmquist, 2004, Phys. Rev. B, 70, 165401, 10.1103/PhysRevB.70.165401 Sun, 2000, J. Mater. Chem., 10, 343, 10.1039/a906865a Zhou, 1999, J. Appl. Phys., 86, 1430, 10.1063/1.370906 Zhou, 2001, J. Mater. Chem., 11, 2339 Wang, 2003, J. Phys.: Condens. Matter, 15, 5968 Manoun, 2004, Appl. Phys. Lett., 84, 2799, 10.1063/1.1699477 Onodera, 1999, Appl. Phys. Lett., 74, 3782, 10.1063/1.124178 Wang, 2004, Appl. Phys. Lett., 85, 33453 B. Manoun, H. Yang, R.P. Gulve, S.K. Saxena, A. Ganguly, M.W. Barsoum, C.S. Zha, unpublished. Sun, 2000, J. Mater. Chem., 10, 342 Kohn, 1999, Rev. Mod. Phys., 71, 1253, 10.1103/RevModPhys.71.1253 Ordejón, 1996, Phys. Rev. B, 53, R10441, 10.1103/PhysRevB.53.R10441 Soler, 2002, J. Phys.: Condens. Matter, 14, 2745, 10.1088/0953-8984/14/11/302 Perdew, 1981, Phys. Rev. B, 23, 5048, 10.1103/PhysRevB.23.5048 Troullier, 1991, Phys. Rev. B, 43, 1993, 10.1103/PhysRevB.43.1993 Kleinman, 1982, Phys. Rev. Lett., 48, 1425, 10.1103/PhysRevLett.48.1425 Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188 Parrinello, 1980, Phys. Rev. Lett., 45, 1196, 10.1103/PhysRevLett.45.1196 Parrinello, 1981, J. Appl. Phys., 52, 7182, 10.1063/1.328693 Murnaghan, 1944, Proc. Nat. Acad. Sci., 30, 244, 10.1073/pnas.30.9.244 Birch, 1947, Phys. Rev., 71, 809, 10.1103/PhysRev.71.809