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.

arXiv comment20 pages, 5 figures, 1 supplementary file, submitted for publication

References in corpus (7)

• Electric Field Effect in Atomically Thin Carbon Films
• Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys
• Origin and Properties of the Gap in the Half-Ferromagnetic Heusler Alloys
• Introduction to half-metallic Heusler alloys: Electronic Structure and Magnetic Properties
• Realization of spin gapless semiconductors: the Heusler compound Mn2CoAl
• Search for spin gapless semiconductors: The case of inverse Heusler compounds
• GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi

Cited by in corpus (25)

• Spin gapless semiconducting behavior in equiatomic quaternary CoFeMnSi Heusler alloy
• A new spin gapless semiconductor: quaternary Heusler CoFeCrGa alloy
• Magnetic and transport properties of Mn2CoAl oriented thin films
• High throughput screening for spin-gapless semiconductors in quaternary Heusler compounds
• $Ab$ $intito$ study on some new spin-gapless semiconductors: The Zr-based quanternary Heusler alloys
• High spin polarization and large spin splitting in equiatomic quaternary CoFeCrAl Heusler alloy
• Magneto-transport properties of oriented Mn2CoAl films sputtered on thermally oxidized Si substrates
• Spin gapless semiconductors
• Half-metallic Ferromagnets, Spin Gapless Semiconductors, and Topological Semimetals Based on Heusler Alloys
• Spin Gapless Semiconducting Nature in Co-rich Co1+xFe1-xCrGa: Insight and Advancements
• Strain-induced programmable half-metal and spin-gapless semiconductor in an edge-doped boron nitride nanoribbon
• Prediction of half-metallicity and spin-gapless semiconducting behavior in the new series of FeCr-based quaternary Heusler alloys: an ab initio study
• Magnetic tunnel junctions with a B2-ordered CoFeCrAl equiatomic Heusler alloy
• Half-Metallic Ferromagnets and Spin Gapless Semiconductors
• A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds
• Anomalous Hall conductivity and electronic structures of Si-substituted Mn${}_2$CoAl epitaxial films
• 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
• Half-metallicity in quaternary Heusler alloys with 3$d$ and 4$d$ elements: observations and insights from DFT calculations
• 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