In recent years, spin-gapless semiconductors (SGSs) have received considerable interest in
the fields of condensed matter physics and materials sciences due to their potential …

The accumulation of carbon dioxide (CO2) pollutants in the atmosphere begets global
warming, forcing us to face tangible catastrophes worldwide. Environmental affability …

We present extensive first-principles calculations on the inverse full-Heusler compounds
having the chemical formula X 2 YZ, where X= Sc, Ti, V, Cr, or Mn; Z= Al, Si, or As; and the Y …

We study the electronic structures and magnetic properties of Mn 2 Co Z (Z= Al, Ga, In, Si,
Ge, Sn, Sb) compounds with Hg 2 Cu Ti-type structure using first-principles full-potential …

Because of the large spatial separation of the Mn atoms in Heusler alloys (d Mn-Mn> 4 Å),
the Mn 3 d states belonging to different atoms do not overlap considerably. Therefore, an …

Study of half-metallicity has been performed in a new series of Mn2ScZ (Z= Si, Ge and Sn)
full Heusler alloys using density functional theory with the calculation and implementation of …

Electronic structure calculations from first principles are employed to design half-metallic
fully compensated ferrimagnets (or, as they are widely known, half-metallic …

Extensive ab-initio electronic structure calculations on Heusler alloys suggest that Cr 2
CoGa is the alloy of choice to achieve the half-metallic fully-compensated ferrimagnetism …

Using the full-potential local orbital minimum-basis method, the Ti2-based full-Heusler alloys
are studied. The results show that these compounds exhibit a half-metallic behavior …

Half-metallic ferromagnets (HMFs) are one of the most promising materials in the field of
spintronics due to their unique band structure, consisting of one spin subband having …