We have theoretically investigated the elastic, mechanical, optical and magnetic properties
of Ru 2 MnX (X= Nb, Ta, V) Heusler alloys within density functional theory (DFT). The …

Herein, we have investigated by means of the DFT calculations the magneto-electronic
properties and thermoelectric responses of the novel half-Heusler NbFe (Mn) Sn …

Abstract Structural, magnetic, electronic, elastic, thermodynamic, optical, and thermoelectric
properties of full-Heusler alloys Co2YSn (Y= Ti; Zr; Hf) were determined using density …

The present manuscript reports structural stability, half-metallic behavior, thermophysical
and thermoelectric properties of Co 2 MoAl and Co 2 TcAl full Heusler compounds using first …

Abstract Electronic, magnetic, dynamic, elastic, thermodynamic, and thermoelectric
properties for Co 2-based full Heusler alloys are investigated theoretically. The full potential …

Computational methods are infallible in predicting the ground state and numerous other
properties of materials. There have been copious efforts to design high spin-polarized …

Self‐consistent ab‐initio calculations with highly precise spin‐polarized, density functional
theory have been performed for the first time, to investigate the electronic structure …

The aim of this paper is the prediction of the structural, electro-magnetic and mechanical
properties of the Co 2 HfZ (Z= Al, Ga, Si and Sn) full Heusler compounds using a full …

Full-Heusler compounds exhibit a variety of magnetic properties such as non-magnetism,
ferromagnetism, ferrimagnetism and anti-ferromagnetism. In recent years, they have …

Insight on the structural, electronic, magnetic and thermoelectric properties of Ba 2 MReO 6
(M= In, Gd) compounds has been taken into the examination under density functional theory …