Half-metallicity and magnetism in the Co${}_2$MnAl/CoMnVAl heterostructure

Abstract

We present a study of the electronic structure and magnetism of Co${}_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co${}_2$MnAl is a half-metallic ferromagnet, whose electronic and magnetic properties are not drastically changed by strong electronic correlations, static or dynamic. Non-quasiparticle states are shown to appear in the minority spin gap without affecting the spin-polarization at the Fermi level predicted by standard DFT. We find that CoMnVAl is a semiconductor or a semi-metal, depending on the employed computational approach. We then focus on the electronic and magnetic properties of the Co${}_2$MnAl/CoMnVAl heterostructure, predicted by previous first principle calculations as a possible candidate for spin-injecting devices. We find that two interfaces, Co-Co/V-Al and Co-Mn/Mn-Al, preserve the half-metallic character, with and without including electronic correlations. We also analyse the magnetic exchange interactions in the bulk and at the interfaces. At the Co-Mn/Mn-Al interface, competing magnetic interactions are likely to favor the formation of a non-collinear magnetic order, which is detrimental for the spin-polarization.

arXiv comment15 pages, 16 figures

References in corpus (38)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Half-metallic ferromagnets: From band structure to many-body effects
• Introduction to half-metallic Heusler alloys: Electronic Structure and Magnetic Properties
• Calculations of Hubbard U from first-principles
• Correlated metals and the LDA+U method
• Variational cluster approach to correlated electron systems in low dimensions
• Screened Coulomb interaction in the maximally localized Wannier basis
• First- principle calculations of magnetic interactions in correlated systems
• Anisotropy and Magnetism in the LSDA+U Method
• Self-energy-functional approach: Analytical results and the Mott-Hubbard transition
• Theory of quasiparticle spectra for Fe, Co, and Ni: bulk and surface
• Antiferromagnetic to superconducting phase transition in the hole- and electron-doped Hubbard model at zero temperature
• Coulomb-U and magnetic moment collapse in $\delta$-Pu
• A reliable Pade analytical continuation method based on a high accuracy symbolic computation algorithm
• Half-metallic ferromagnets for magnetic tunnel junctions
• Electronic structure and magnetic properties of correlated metals: A local self-consistent perturbation scheme
• Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: methodology and applications
• The efficient spin injector scheme based on Heusler materials
• Non-quasiparticle states in Co${}_2$MnSi evidenced through magnetic tunnel junction spectroscopy measurements
• Nonquasiparticle states in half-metallic ferromagnet NiMnSb
• Correlation effects in total energy of transition metals and related properties
• Half-Metallic Ferromagnetism and the spin polarization in CrO${}_2$
• Temperature dependences of resistivity and magnetoresistivity for half-metallic ferromagnets
• Electron Correlations and the Minority-Spin Band Gap in Half-Metallic Heusler Alloys
• Analytic continuation by averaging Padé approximants
• Ab-initio calculation of the effective on-site Coulomb interaction parameters for half-metallic magnets
• Weak phase separation and the pseudogap in the electron-doped cuprates
• Tunable spin transport in CrAs: role of correlation effects
• Multilayers of Zinc-Blende Half-Metals with Semiconductors
• Giant magnetothermopower of magnon-assisted transport in ferromagnetic tunnel junctions
• Subgap transport in ferromagnet-superconductor junctions due to magnon-assisted Andreev reflection
• First principles studies of the Gilbert damping and exchange interactions for half-metallic Heuslers alloys
• Half-metallicity in NiMnSb: a Variational Cluster Approach with ab-initio parameters
• Magnon-assisted transport and thermopower in ferromagnet-normal metal tunnel junctions
• Majority-spin non-quasiparticle states in half-metallic ferrimagnet Mn${}_2$VAl
• Spin-polarized scanning tunneling microscopy of half-metallic ferromagnets: Non-quasiparticle contributions
• gamma-Mn at the border between weak and strong correlations
• Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors

Cited by in corpus (7)

• Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
• Dynamical Mean-Field Theory for spin-dependent electron transport in spin-valve devices
• The DFT+${\Sigma }_2$ method for electron correlation effects at transition metal surfaces
• Magnetic 2D electron liquid at the surface of Heusler semiconductors
• Emergent half-metal with mixed structural order in (111)-oriented (LaMnO${}_3$)${}_{2n}$|(SrMnO${}_3$)${}_n$ superlattices
• Exploring strong electronic correlations in the breathing kagome metal Fe${}_3$Sn
• Layer-dependent electronic structures and magnetic ground states of polar-polar $\mathrm{LaV}{\mathrm{O}}_3/KTa{\mathrm{O}}_3$ (001) heterostructures