Design of L2_1-type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT+GW study

Abstract

Antiferromagnetic spintronics is an on-going growing field of research. Employing both standard density functional theory and the $GW$ approximation within the framework of the FLAPW method, we study the electronic and magnetic properties of seven potential antiferromagnetic semiconducting Heusler compounds with 18 (or 28 when Zn is present) valence electrons per unit cell. We show that in these compounds G-type antiferromagnetism is the ground state and that they are all either emiconductors (Cr${}_2$ScP, Cr${}_2$TiZn, V${}_2$ScP, V${}_2$TiSi, and V${}_3$Al) or semimetals (Mn${}_2$MgZn and Mn${}_2$NaAl). The many-body corrections have a minimal effect on the electronic band structure with respect to the standard electronic structure calculations.

arXiv commentJournal of Applied Physics, in press

References in corpus (11)

• Antiferromagnetic spintronics
• Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys
• Origin and Properties of the Gap in the Half-Ferromagnetic Heusler Alloys
• Efficient implementation of the GW approximation within the all-electron FLAPW method
• Search for spin gapless semiconductors: The case of inverse Heusler compounds
• Tailoring Exchange Couplings in Magnetic Topological Insulator/Antiferromagnet Heterostructures
• Antiferromagnetic phase of the gapless semiconductor V3Al
• Synthesis of low-moment CrVTiAl: a potential room temperature spin filter
• Magnetic properties of low-moment ferrimagnetic Heusler Cr2CoGa thin films grown by molecular beam epitaxy
• Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors
• Itinerant G-type antiferromagnetism in D0${}_3$-type V${}_3$Z (Z=Al, Ga, In) compounds: A first-principles study

Cited by in corpus (3)

• Competing magnetic and spin gap-less semiconducting behaviour in fully compensated ferrimagnet CrVTiAl: Theory and Experiment
• A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds
• Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds