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Magnetic study of the transition elements doped binary compound SrAs with hexagonal Na2O2-type structure



  1. Université des Sciences et de la Technologie d’Oran Mohamed Boudiaf, Département de Physique, Faculté de Physique, Oran, Algérie


Using the calculation based on the functional density theory, we find the existence of the magnetism of the binary compound SrAs doped with transition elements Ti, V, Cr, Mn, Fe, Co and Ni in its non-magnetic Na2O2 type hexagonal structure. We studied the stability of undoped binary SrAs in the absence (NM) and in the presence (FM) of spin polarization by a calculation of their cohesion energies. The hexagonal Na2O2-type in non magnetic phase is found to be energetically the most stable. It is interesting to note that the doping of the compound SrAs by the elements Ti, V and Cr induces a strong magnetism while the elements Fe, Co, and Ni introduce a weak magnetic moment. The element Mn gives a zero magnetic moment. The partial density of states indicates that ferromagnetism emerges fundamentally from the coupling between the states of the X-d states of the doping atom X, Sr-d states and As-p states of the Sr and As host atoms. These theoretical results make the binary compound SrAs doped withthe elements Ti, V, Cr, Fe, Co and Ni a good material for magnetism..


Magnetism, SrAs binary compound, Hexagonal Na2O2-type, Density functional theory.

Submitted at: Oct. 10, 2020
Accepted at: Oct. 7, 2021


M. TORRICHI, N. ZIANI, M. BELMEKKI, Magnetic study of the transition elements doped binary compound SrAs with hexagonal Na2O2-type structure, Journal of Optoelectronics and Advanced Materials Vol. 23, Iss. 9-10, pp. 497-502 (2021)