Condensed Matter Physics, 2020, vol. 23, No. 1, 13701
DOI:10.5488/CMP.23.13701
arXiv:2003.02067
Title:
Theoretical study of phase stability, electronic and magnetic properties of Rh2CrGe1-xAlx (x = 0, 0.25, 0.50, 0.75 and 1)
Heusler alloys by FP-LAPW method
Author(s):
 
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M. Kadjaoud
(Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria)
,
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M. Mokhtari
(Université des Sciences et de la Technologie d'Oran Mohamed Boudiaf, USTO-MB, LEPM, BP 1505, El M' Naouar, 31000 Oran, Algeria;
Département de SM, Institut des Sciences et des Technologies, Centre Universitaire de Tissemsilt, 38000 Tissemsilt, Algeria)
,
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L. Djoudi
(Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria; Département de SM, Institut des Sciences et des Technologies, Centre Universitaire de Tissemsilt,
38000 Tissemsilt, Algeria)
,
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M. Merabet
(Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria; Département de SM, Institut des Sciences et des Technologies, Centre Universitaire de Tissemsilt,
38000 Tissemsilt, Algeria)
,
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S. Benalia
(Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria; Département de SM, Institut des Sciences et des Technologies, Centre Universitaire
de Tissemsilt, 38000 Tissemsilt, Algeria)
,
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D. Rached
(Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria)
,
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R. Belacel
(Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria)
,
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F. Zami
(Condensed Matter and Sustainable Development Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria)
,
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F. Dahmane
(Département de SM, Institut des Sciences et des Technologies, Centre Universitaire de Tissemsilt, 38000 Tissemsilt, Algeria)
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First-principle calculations were performed within the framework of the density functional theory (DFT) using FP-LAPW method as implemented in WIEN2k code to determine the structural
stability, electronic and magnetic properties of Rh2CrGe1-xAlx (x = 0, 0.25, 0.50, 0.75 and 1).
The results showed that for Rh2CrAl and Rh2CrGe, the Cu2MnAl-type structure is energetically more stable than Hg2CuTi-type structure at
the equilibrium volume. The calculated densities of states for Rh2CrAl and Rh2CrGe show half-metallic and nearly half-metallic behavior, respectively.
Rh2CrGe1-xAlx (x = 0.25, 0.50, 0.75) these alloys show a half-metallic character, and these compounds are predicted to be good candidates
for spintronic applications.
Key words:
Heusler alloys, structural properties, electrical properties, magnetic properties
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