A New Spin Gapless Semiconductors Family: Quaternary Heusler Compounds

Abstract

Using first-principles calculations, we investigate the band structures of a series of quaternary LiMgPdSn-type Heusler compounds. Our calculation results show that five compounds CoFeMnSi, CoFeCrAl, CoMnCrSi, CoFeVSi and FeMnCrSb possess unique electronic structures characterized by a half-metallic gap in one spin direction while a zero-width gap in the other spin direction showing spin gapless semiconducting behavior. We further analysis the electronic and magnetic properties of all quaternary Heusler alloys involved, and reveal a semi-empirical general rule (total valence electrons number being 26 or 28) for indentifying spin gapless semiconductors in Heusler compounds. The influences of lattice distortion and main-group element change have also been discussed.

20 pages, 5 figures, 1 supplementary file, submitted for publication

References in corpus (2)

• Electric Field Effect in Atomically Thin Carbon Films
• GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi

Cited by in corpus (12)

• Spin gapless semiconductors
• Half-metallic Ferromagnets, Spin Gapless Semiconductors, and Topological Semimetals Based on Heusler Alloys
• Prediction of half-metallicity and spin-gapless semiconducting behavior in the new series of FeCr-based quaternary Heusler alloys: an ab initio study
• Half-Metallic Ferromagnets and Spin Gapless Semiconductors
• Unusual kinetic properties of usual Heusler alloys
• Possible spin gapless semiconductor type behaviour in CoFeMnSi epitaxial thin films
• Rare observation of spin-gapless semiconducting characteristics and related band topology of quaternary Heusler alloy CoFeMnSn
• Ab initio design of quaternary Heusler compounds for reconfigurable magnetic tunnel diodes and transistors
• Multifunctional steep-slope spintronic transistors with spin-gapless-semiconductor or spin-gapped-metal electrodes
• First principles design of Ohmic spin diodes based on quaternary Heusler compounds
• Spin gapped metals: A novel class of materials for multifunctional spintronic devices
• Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi