Investigation of structural stability, elastic properties, electronic structure and ferrimagnetic behavior of Mn2RhGe full-Heusler alloy

Chehrouri M., Doumi B., Mokaddem A., MOĞULKOÇ Y., Berber M., Boudali A.

JOURNAL OF ALLOYS AND COMPOUNDS, cilt.722, ss.564-568, 2017 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 722
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1016/j.jallcom.2017.06.116
  • Dergi Adı: JOURNAL OF ALLOYS AND COMPOUNDS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.564-568
  • Anahtar Kelimeler: Mn2RhGe full-Heusler alloy, Half-metal, Ferrimagnetism, Slater-Pauling rule, HALF-METALLIC FERRIMAGNETISM, AB-INITIO, 1ST-PRINCIPLES, INSTABILITIES, PREDICTION, AL, LI
  • Ankara Üniversitesi Adresli: Evet

Özet

The first-principle calculations of density functional theory have been used to study the structural, elastic, electronic and magnetic properties of Mn2RhGe full-Heusler alloy. The present study reveals that the Mn2RhGe is stable in X-a-type structure and exhibits a half-metallic ferrimagnetic feature at equilibrium lattice constant. In the Mn2RhGe, the ferrimagnetic behavior results from antiparallel coupling between Mn (1) and Mn (2) spin moments. The total magnetic moment of Mn2RhGe is 3 mu(B), which obeys to the Slater-Pauling rule. The Mn2RhGe keeps the half-metallic character for the lattice parameters (a) in the range of 5.73-5.95 angstrom, but at a - 6.05 angstrom this behavior destroyed and the compound becomes metallic in nature. Therefore, the Mn2RhGe is predicted to be better candidate to explore ferrimagnetic property for possible spintronics applications. (C) 2017 Elsevier B.V. All rights reserved.