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• W2022349301 abstract "In this Letter, we study the structural, elastic and electronic properties of perovskite semiconductor SrTiO3 using two different methods: the full-potential linearized augmented plane wave (FP-LAPW) method and the pseudo-potential plane wave (PP-PW) scheme in the frame of generalized gradient approximation (GGA). We have evaluated the ground state quantities such as lattice parameter, bulk modulus and its pressure derivative as well as the elastic constants. Also, we have presented the results of the band structure, densities of states and charge densities. These results were in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound we have analyzed the thermodynamic properties such as thermal expansion coefficient, and specific heats in the whole pressure range from 0 to 20 GPa and temperature range from 0 to 1200 K." @default.
• W2022349301 created "2016-06-24" @default.
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• W2022349301 date "2009-02-01" @default.
• W2022349301 modified "2023-10-06" @default.
• W2022349301 title "First-principles study of structural, elastic, electronic, and thermal properties of SrTiO3 perovskite cubic" @default.
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• W2022349301 doi "https://doi.org/10.1016/j.physleta.2008.12.017" @default.
• W2022349301 hasPublicationYear "2009" @default.
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