Ghulam M. Mustafa , Muhammad Waseem , M. Ammar Yasir , N.A. Noor , Sohail Mumtaz , Shahid Atiq , Khalid M. Elhindi
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引用次数: 0
Abstract
This study explores the ferromagnetic semiconducting nature of Na2ReX6 (X = Cl and Br) double perovskites utilizing WIEN2k code. The lattice constant increases from 9.88, and 10.52 Å, and computed elastic constants, Poisson, and Pugh’s ratio validate their mechanical stability. In addition, the electronic band structure demonstrates a ferromagnetic semiconducting nature with a large band gap of 3.8 and 3.0 eV, and the value of the magnetic moment is witnessed as 3.0 μB which is suitable for their spintronic applications. The ZT value is noticed as 0.75 and 0.76 illustrating their potential for thermoelectric applications.
期刊介绍：
Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.
Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.
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