High pressure structural,electronic and vibrational properties of InN and InP |
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| Authors: | J.M. Panchal Mitesh Joshi P.N. Gajjar |
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| Affiliation: | 1. Government Engineering College, Gandhinagar, Gujarat, Indiaamitjignesh@yahoo.co.in;3. Government Polytechnic for Girls, Athwagate, Surat, Gujarat, India;4. Department of Physics, University School of Sciences, Gujarat University, Ahmedabad, Gujarat, India |
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| Abstract: | A first-principles plane wave self-consistent method with the Ultrasoftpseudopotential scheme in the framework of density functional theory is performed to study the high pressure structural, electronic and vibrational properties of InX (X = N, P) for the zinc-blende (ZnS/B3), rock-salt (NaCl/B1) and cesium-chloride (CsCl/B2) phases. We also calculate the phase transition pressures among these different phases. Conclusions based on electronic energy band structure, phonon dispersion and phonon density of states at high pressure phases along phase transition regions are outlined. |
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| Keywords: | phase transition electronic energy band structure phonon dispersion phonon density of states |
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