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):
  M. Kadjaoud (Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria) ,
  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) ,
  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) ,
  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) ,
  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) ,
  D. Rached (Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria) ,
  R. Belacel (Magnetic Materials Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria) ,
  F. Zami (Condensed Matter and Sustainable Development Laboratory, Physics Department, Sidi-Bel-Abbes University, Algeria) ,
  F. Dahmane (Département de SM, Institut des Sciences et des Technologies, Centre Universitaire de Tissemsilt, 38000 Tissemsilt, Algeria)

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


Full text [pdf] << List of papers