$Ab$ $intito$ study on some new spin-gapless semiconductors: The Zr-based quanternary Heusler alloys

Abstract

Employing $ab$ $intito$ electronic structure calculations, we have investigated electronic and magnetic properties of the Zr-based quanternary Heusler alloys: ZrCoVIn, ZrFeVGe, ZrCoFeP, ZrCoCrBe and ZrFeCrZ (Z=In and Ga). Our $ab$ $intito$ calculation results show that all the alloys are (or nearly) spin-gapless semiconductors. All the alloys have large band gaps, indicating the stability of them at room temperature. The Slater-Pauling behaviours of these alloys are discussed as well. The values of Curie temperature of all the alloys are estimated. And it is found that the values of the Curie temperature for all our calculated quanternary Heusler alloys are higher than that of room temperature.

14 pages, 4 figures, 2 tables

References in corpus (3)

• A New Spin Gapless Semiconductors Family: Quaternary Heusler Compounds
• Achieving High Curie Temperature in (Ga,Mn)As
• Superconductivity in the Heusler Family of Intermetallics

Cited by in corpus (8)

• High throughput screening for spin-gapless semiconductors in quaternary Heusler compounds
• Competing magnetic and spin gap-less semiconducting behaviour in fully compensated ferrimagnet CrVTiAl: Theory and Experiment
• First principle investigations of the structural, electronic and magnetic properties of the new zirconium based full-Heusler compounds, Zr2MnZ (Z = Al, Ga and In)
• Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3$d$ and 4$d$ elements
• Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi
• DFT and Monte Carlo simulations of the equiatomic quaternary Heusler Alloy CoFeCrP
• A first-principle study on some quanternary Heusler alloys with 4d and 3d transition metal elements
• Observation of Griffiths-like phase in the quaternary Heusler compound NiFeTiSn