Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides

Abstract

An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent half-metallic ferromagnets with large half-metallic gaps (up to 0.88 eV). They are mechanically stable and approximately 0.31-0.53 eV per formula unit higher in total energy than the corresponding nickel-arsenide ground-state phases, and therefore would be grown epitaxially in the form of films and layers thick enough for spintronic applications.

4 pages with 4 figures included

References in corpus (7)

• Origin and Properties of the Gap in the Half-Ferromagnetic Heusler Alloys
• Towards New Half-Metallic Systems: Zinc-Blende Compounds of Transition Elements with N, P, As, Sb, S, Se, and Te
• Can half metallic zincblende MnAs be grown?
• Robust half-metallic ferromagnetism in the zincblende CrSb
• Coordination and chemical effects on the structural, electronic and magnetic properties in Mn pnictides
• Surface Half-Metallicity of CrAs in the Zinc-Blende Structure
• Observation of anomalous single-magnon scattering in half-metallic ferromagnets by chemical pressure control

Cited by in corpus (38)

• Half-metallic ferromagnets: From band structure to many-body effects
• Introduction to half-metallic Heusler alloys: Electronic Structure and Magnetic Properties
• Appearance of Half-Metallicity in the Quaternary Heusler Alloys
• Topological superconductivity and Majorana fermions in half-metal / superconductor heterostructure
• The effect of the spin-orbit interaction on the band gap of half-metals
• Half-metallic ferromagnets for magnetic tunnel junctions
• Improved half-metallic ferromagnetism of transition-metal pnictides and chalcogenides calculated with a modified Becke-Johnson exchange potential
• First-principles investigation of half-metallic ferromagnetism of half-Heusler compounds XYZ
• Stability of ferromagnetism in the half-metallic pnictides and similar compounds: A first-principles study
• A review of the electronic and magnetic properties of tetrahedrally bonded half-metallic ferromagnets
• Half metallic digital ferromagnetic heterostructure composed of a $\delta$-doped layer of Mn in Si
• First principles theoretical studies of half-metallic ferromagnetism in CrTe
• Tunable spin transport in CrAs: role of correlation effects
• Half-metallic properties of atomic chains of carbon-transition metal compounds
• Multilayers of Zinc-Blende Half-Metals with Semiconductors
• Half-metallic ferromagnetism induced by dynamic electron correlations in VAs
• Exchange interactions and Curie temperatures in Cr-based alloys in Zinc Blende structure: volume- and composition-dependence from first-principles calculations
• Robust Half-Metallic Character and Large Oxygen Magnetism in a Perovskite Cuprate
• Half-metallicity in Armchair Boron Nitride Nanoribbons: A First-Principles Study
• Intrinsic Half-metallicity in Edge Fluorinated Armchair Boron Nitride Nanoribbons
• Strain-induced half-metallic ferromagnetism in zinc blende CrP/MnP superlattice: First-principles study
• Structural, electronic and magnetic properties of the Manganese telluride layers AMnTe2 (A=K, Rb, Cs) from first-principles calculations
• Defects in CrAs and related compounds: a route to half-metallic ferrimagnetism
• Promising ferrimagnetic double perovskite oxides towards high spin polarization at high temperature
• Exotic rare earth-based materials for emerging spintronic technology
• Breakdown of half-metallic ferromagnetism in zinc-blende II-V compounds
• Nitrogen-induced Ferromagnetism in BaO
• Electronic correlations in short period (CrAs)${}_n$/(GaAs)${}_n$ ferromagnetic heterostructures
• Stable half-metallic ferromagnetism in nonstoichiometric cubic binary chromium chalcogenides
• Influence of defects on the electronic and magnetic properties of half-metallic CrAs, CrSe and CrSb zinc-blende compounds
• Spin-polarized surface state in Li-doped SnO${}_2$(001)
• Spin transport and spin-caloric effects in (Cr,Zn)Te half-metallic nanostructures: Effect of spin disorder at elevated temperatures from first principles
• Biaxial-stress driven tetragonal symmetry breaking in and high-temperature ferromagnetic semiconductor from half-metallic CrO2
• Half-metallic ferrimagnet formed by substituting Fe for Mn in semiconductor MnTe
• First-principles investigation of half-metallic ferromagnetism of Fe${}_2$YSn (Y = Mn, Ti and V) Heusler alloys
• Role of defects and disorder in the half-metallic full-Heusler compounds
• Biaxial-stress-driven full spin polarization in ferromagnetic hexagonal chromium telluride
• Role of defects on the electronic and magnetic properties of CrAs/InAs and CrAs/CdSe half-metallic interfaces