Structural stability, electronic, and mechanical properties of new stable phases for the ternary alloy MgxCd1-xO

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dc.contributor.authorDjezzar, Nor El Houda
dc.contributor.authorDriss-Khodja, Kouider
dc.contributor.authorAmrani, Bouhalouane
dc.date.accessioned2025-04-21T21:49:55Z
dc.date.available2025-04-21T21:49:55Z
dc.date.issued2021
dc.description.abstractWith the development of technology, finding new crystallographic phases with remarkable properties and that are easy to be elaborated experimentally is highly recommended. The II-VI semiconductors are very interesting materials for various applications due to the possibility to preselect and control their physical properties; which can be realized by varying the atomic concentration to form alloys. Herein, density functional theory (DFT) calculation has been performed for the alloy MgxCd1-xO to investigate the thermodynamic, dynamical, and local stability of MgCdO2 for 50% of concentration and MgCd3O4 for 25%. MgCdO2 is stable in a tetragonal phase whereas, the MgCd3O4 is not stable in the same cubic phase predicted for 75% (Pm-3m) in the previous work, instead, it is stable in another cubic phase (P-43m). the elastic constants and mechanical properties predict that adding Mg atoms to the alloy enhance the resistance of the material.
dc.identifier.urihttp://dspace.univ-oeb.dz:4000/handle/123456789/21971
dc.language.isoen
dc.publisherUniversity of Oum El Bouaghi
dc.subjectMgxCd1-xO; II-VI semiconductors; Structural stability; Mechanical properties
dc.titleStructural stability, electronic, and mechanical properties of new stable phases for the ternary alloy MgxCd1-xO
dc.typeArticle
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The 1 ST international conference on electronics, artificial intelligence and technologies ICEAINT 2021