Pressure-induced phase transition and structural behavior of MgO at high temperatures: a model study |
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Authors: | Atul Gour Sadhna Singh |
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Institution: | 1. Department of Physics, Government Polytechnic College, Harda, India;2. High Pressure Research Lab, Department of Physics, Barkatullah University Bhopal, India;3. High Pressure Research Lab, Department of Physics, Barkatullah University Bhopal, India |
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Abstract: | A realistic interaction potential model approach by including temperature effects is developed to study phase transition, elastic properties and thermo-physical properties at very high pressures and temperatures. This approach is effectively able to explain the inter-atomic interaction involved at high temperature and high pressure as it includes the three-body interactions. Earlier works overlooked the three-body interactions at high temperature and pressures. Moreover, the phase-transition pressures of MgO crystal at high temperatures including the three-body interaction are computed for the first time. Elastic behavior, anisotropic factor and Debye temperature of MgO at high pressures and temperatures are also reported. |
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Keywords: | phase transition structural stability many body interactions elastic constants |
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