Structural stability,mechanical, electronic and thermal behaviour of Ru2CrZ (Z=Sb,Si, Pb,Ge) Heusler alloys |
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| Affiliation: | 1. Laboratoire d’étude Physico-Chimique des Matériaux(LEPCM), Département de Physique, Faculté desSciences de la Matière, Université de Batna 1, Rue Chahid Boukhlouf, 05000 Batna, Algeria;2. Laboratoire d''Etudes Physique des Matériaux, Département de physique énergétique, Université des Sciences et de Technologie, USTO-MB, BP 1505 El M''naour, Oran, Algeria;3. Département de sciences de la matière, Centre Universitaire de Tissemsilt, 38000 Tissemsilt, Algeria;1. Département de SM, Institue des Sciences et des Technologies, Centre Universitaire de Tissemsilt, Tissemsilt 38000, Algeria;2. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département deTechnologie, Université de Mascara, Mascara 29000, Algeria;3. Faculty of Sciences, Department of Physics, Dr. Tahar Moulay University of Saida, Saida 20000, Algeria;4. Department of Physics, Pachhunga University College, Aizawl 796001, India;5. Department of Physics, Islamic University of Science and Techonology, Awantipora, Jammu and Kashmir 192122, India;6. Laboratoire d’étude des Matériaux & Istrumentations Optiques, Physics Department, Djillali Liabès University of Sidi Bel-Abbès, Sidi Bel-Abbès 22000, Algeria;7. Laboratoire de Physique des Rayonnements, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria;8. Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, Prague 6 166 07, Czech Republic;9. Nanotechnology and Catalysis Research Center (NANOCAT), University of Malaya, Kuala Lumpur 50603, Malaysia;10. Physics department, College of Science, Basrah University, Basrah, Iraq;11. Iraq University College (IUC), Al-Estiqlal St., Basrah, Iraq |
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| Abstract: | In this paper, the structural, elastic, electronic properties of Ru2CrZ (Z=Si, Ge, Pb, Sn) are explored using the generalized gradient approximation based on ab initio plane-wave pseudopotential density functional theory. With the help of the quasi-harmonic Debye model, we also investigate the variation of normalized volume V/V0, the heat capacities CV and CP, thermal expansivity, and Debye temperature of Ru2CrZ (Z=Si, Ge, Pb, Sn). Results show that the Cu2MnAl type structure is more stable then Hg2CuTi type structure. The four compounds in the ground state are predicted to be nearly half-metal behavior with total magnetic moment near to the integer value. To provide a comparative and complementary study to future researches, we investigated the elastic and thermodynamic properties. |
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