Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys
arXiv:2307.16442 · doi:10.1103/PhysRevMaterials.7.104410
Abstract
We investigate the suitability of nearly half-metallic ferrimagnetic quaternary Heusler alloys, CoCrMnZ (Z=Al, Ga, Si, Ge) to assess the feasibility as electrode materials of MgO-based magnetic tunnel junctions (MTJ). Low magnetic moments of these alloys originated from the anti-ferromagnetic coupling between Mn and Cr spins ensure a negligible stray field in spintronics devices as well as a lower switching current required to flip their spin direction. We confirmed mechanical stability of these materials from the evaluated values of elastic constants, and the absence of any imaginary frequency in their phonon dispersion curves. The influence of swapping disorders on the electronic structures and their relative stability are also discussed. A high spin polarization of the conduction electrons are observed in case of CoCrMnZ/MgO hetrojunctions, independent of terminations at the interface. Based on our ballistic transport calculations, a large coherent tunnelling of the majority-spin -like states can be expected through MgO-barrier. The calculated tunnelling magnetoresistance (TMR) ratios are in the order of 1000\%. A very high Curie temperatures specifically for CoCrMnAl and CoCrMnGa, which are comparable to Co, could also yield a weaker temperature dependece of TMR ratios for CoCrMnAl/MgO/CoCrMnAl (001) and CoCrMnGa/MgO/CoCrMnGa (001) MTJ.
arXiv comment24 pages, 13 figures
References in corpus (14)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- Slater-Pauling Behavior of the Half-Ferromagnetic Full-Heusler Alloys
- Implementation strategies in phonopy and phono3py
- FermiSurfer: Fermi-surface viewer providing multiple representation schemes
- Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudo-potentials
- High throughput screening for spin-gapless semiconductors in quaternary Heusler compounds
- Electronic structure, magnetism and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys
- Probing the possibility of coexistence of martensite transition and half-metallicity in Ni and Co-based full Heusler Alloys : An ab initio Calculation
- Structural stability, magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: A density functional theory study
- Half-metallic, Co-based quaternary Heuslers for spintronics: defect- and pressure-induced transitions and properties
- Magnetic tunnel junctions with a B2-ordered CoFeCrAl equiatomic Heusler alloy
- Interplay of phase sequence and electronic structure in the modulated martensites of MnNiGa from first-principles
- Ab-initio study of electronic and magnetic properties of MnRuZ/MgO (001) heterojunctions (Z= Al, Ga, Si, Ge)