Structural phase transition and elastic properties of Curium and Uranium monobismuthides under pressure effect |
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| Authors: | D Rached M Rabah R Khenata B Abidri S Benalia |
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| Institution: | 1. Laboratoire des Matériaux Magnétiques, Faculté Des Sciences, Université Djillali Liabes de Sidi Bel-Abbès, Sidi Bel-Abbès (22000), Algérie;2. Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3M), Centre universitaire de Mascara, Mascara (29000), Algérie;1. Laboratoire LPR, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria;2. Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;3. Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Université de Mascara, Mascara, 29000, Algeria;1. School of Physical Science and Technology, Southwest University, Chongqing, 400715, China;2. Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong, 2500, Australia;3. Laboratoire D’étude des Matériaux & Instrumentations Optiques, Physics Department, Djillali Liabès University of Sidi Bel-Abbès, Sidi Bel-Abbès, 22000, Algeria;4. Laboratoire de Physique Quantique de La Matière et de Modélisation Mathématique (LPQ3M), Université de Mascara, 29000, Mascara, Algeria |
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| Abstract: | A density functional (DFT) calculations of the structural, elastic and high pressure properties of the cubic XBi (X=U,Cm) compounds, has been reported using the full potential linear muffin-tin orbital (FP-LMTO) method. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. Results are given for lattice constant, bulk modulus and its pressure derivatives. The pressure transitions at which these compounds undergo structural phase transition from NaCl-type (B1) to CsCl-type (B2) phase were found to be in good agreement with the available theoretical results. We have determined the elastic constants C11, C12, C44 and their pressure dependence which have not been established experimentally or theoretically. |
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