Insight into the structural, elastic and electronic properties of tetragonal inter-alkali metal chalcogenides CsNaX (X=S, Se, and Te) from first-principles calculations

Materials Chemistry and Physics - Tập 221 - Trang 125-137 - 2019
D. Heciri1, H. Belkhir1, R. Belghit1, B. Bouhafs2, R. Khenata3, R. Ahmed4,5, A. Bouhemadou6, T. Ouahrani7, Xiaotian Wang8, S. Bin Omran9
1Laboratory Studies of Surface and Interfaces of Solid Matter (LESIMS), Department of Physics, Faculty of Sciences, University Badji Mokhtar of Annaba, Algeria
2Laboratoire de Modélisation et Simulation en Sciences des Matériaux, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès, 22000, Algeria
3Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3M), Université de Mascara, 29000, Algeria
4Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM, Skudai, 81310 Johor, Malaysia
5Centre for High Energy Physics, University of the Punjab, Quaid-e-Azam Campus, 54590, Lahore, Pakistan
6Laboratory for Developing New Materials and Their Characterization, University of Setif 1, 19000 Setif, Algeria
7Ecole Supérieure en Sciences Appliquées, B. P. 165, 13000, Tlemcen, Algeria
8School of Physical Science and Technology, Southwest University, Chongqing 400715, People’s Republic of China
9Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia

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