Related papers: Ab-initio study of magneto-ionic mechanisms in fer…
Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing…
Cobalt ferrite (CoFe$_2$O$_4$) is a prototypical ferrimagnetic spinel oxide whose exceptional magnetic anisotropy, magnetoelastic coupling, and thermal stability underpin applications in spintronics, magnetic hyperthermia, energy…
We report on the study of both perpendicular magnetic anisotropy (PMA) and Dzyaloshinskii-Moriya interaction (DMI) at an oxide/ferromagnetic metal (FM) interface, i.e. BaTiO3 (BTO)/CoFeB. Thanks to the functional properties of the BTO film…
We report the phase-transition controlled magnetic anisotropy modulation in the (Co/Pt)2/VO2 heterostructure, where VO2 is introduced into the system to applied an interfacial strain by its metal-insulator transition. A large reversible…
Magnetic tunnel junction (MTJ) based on CoFeB/MgO/CoFeB structures is of great interest due to its application in the spin-transfer-torque magnetic random access memory (STT-MRAM). Large interfacial perpendicular magnetic anisotropy (PMA)…
Using first-principles calculations, we elucidate microscopic mechanisms of perpendicular magnetic anisotropy (PMA)in Fe/MgO magnetic tunnel junctions through evaluation of orbital and layer resolved contributions into the total anisotropy…
Magnetocrystalline anisotropy in transition metal alloys (FePt, CoPt, FePd, MnAl, MnGa, and FeCo) was studied using first-principles calculations to elucidate its specific mechanism. The tight-binding linear muffin-tin orbital method in the…
The interfacial oxidation level and thermodynamic properties of the MgO-based perpendicular magnetic tunneling junctions are investigated. The symmetry-conserved tunneling effect depends sensitively on the MgO adatom energy during the RF…
We have studied the magnetic layer thickness dependence of the orbital magnetic moment in magnetic heterostructures to identify contributions from interfaces. Three different heterostructures, Ta/CoFeB/MgO, Pt/Co/AlO$_x$ and Pt/Co/Pt, which…
We study the ferromagnetic layer thickness dependence of the voltage-controlled magnetic anisotropy (VCMA) in gated CoFeB/MgO heterostructures with heavy metal underlayers. When the effective CoFeB thickness is below ~1 nm, the VCMA…
We propose a new ab initio method designed for the accurate calculation of effective exchange integrals between atoms with numerous open-shells. This method applies to ferromagnetic as well as antiferromagnetic exchange, direct or…
We study thin films and magnetic tunnel junction nanopillars based on Ta/Co$_{20}$Fe$_{60}$B$_{20}$/MgO multilayers by electrical transport and magnetometry measurements. These measurements suggest that an ultrathin magnetic oxide layer…
We demonstrate a voltage-controlled exchange bias effect in CoFeB/MgO/CoFeB magnetic tunnel junctions that is related to the interfacial Fe(Co)Ox formed between the CoFeB electrodes and the MgO barrier. The unique combination of interfacial…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
Atomic-scale magnetic nanostructures are promising candidates for future information processing devices. Utilizing external electric field to manipulate their magnetic properties is an especially thrilling project. Here, by careful…
The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…
Controlled spin transport in magnetic stacks is required to realize pure spin current-driven logic and memory devices. The control over the generation and detection of the pure spin current is achieved by tuning the spin to charge…
Controlling the magnetic anisotropy of ferromagnetic materials plays a key role in magnetic switching devices and spintronic applications. Examples of spin-orbit torque devices with different magnetic anisotropy geometries (in-plane or…
Magnetic anisotropy controls the orientational stability and switching properties of magnetic states, and therefore plays a central role in spintronics. First-principles density-functional-theory calculations are able, in most cases, to…
Both cuprates and iron-based superconductors demonstrate nematicity, defined as the spontaneous breaking of rotational symmetry in electron systems. The nematic state can play a role in the high-transition-temperature superconductivity of…