Related papers: Ab-initio study of magneto-ionic mechanisms in fer…
Spin-transfer-torque magnetic random access memory (STT-MRAM) attracts extensive attentions due to its non-volatility, high density and low power consumption. The core device in STT-MRAM is CoFeB/MgO-based magnetic tunnel junction (MTJ),…
Controlling interfacial interactions in magnetic/topological insulator heterostructures is a major challenge for the emergence of novel spin-dependent electronic phenomena. As for any rational design of heterostructures that rely on…
Composite multiferroics consisting of a ferroelectric material interfaced with a ferromagnetic material can function above room temperature and exhibit improved magnetoelectric (ME) coupling compared to single-phase multiferroic materials,…
First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…
In epitaxial (111) oriented Ni$_{80}$Fe$_{20}$/Fe$_{50}$Mn$_{50}$ bilayers, we separate two distinct behaviors: unidirectional anisotropy (exchange bias) in thick Fe$_{50}$Mn$_{50}$, and enhanced coercivity in thin Fe$_{50}$Mn$_{50}$. By…
By means of one-step model calculations the strong in-plane anisotropy seen in angle-resolved photoemission of the well-known iron pnictide prototype compounds BaFe$_2$As$_2$ and Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ in their low-temperature…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
X-ray spectroscopy measurements have been performed on a series of Pt/Co/AlOx trilayers to investigate the role of Co oxidation in the perpendicular magnetic anisotropy of the Co/AlOx interface. It is observed that high temperature…
Few layers Fe$_3$GeTe$_2$ is currently the only atomically thin ferromagnetic metal, and thus has drawn huge attention in the field of two-dimensional (2D) magnetism. In this paper, we perform a systematic first principle study on the…
We present a novel approach to spin manipulation in atomic-scale nanostructures. Our ab initio calculations clearly demonstrate that it is possible to tune magnetic properties of sub-nanometer structures by adjusting the geometry of the…
We investigate the magnetization reversal in Fe/MgO(001) films with fourfold in-plane magnetic anisotropy and an additional uniaxial anisotropy whose orientation and strength are tuned using different growth geometries and post growth…
Magnetic complex-oxide heterostructures are of keen interest because a wealth of phenomena at the interface of dissimilar materials can give rise to fundamentally new physics and potentially valuable functionalities. Altered magnetization,…
Iron-based layered systems are of great interest because of their ability to tune effective material parameters such as magnetic anisotropy energy (MAE). The influence of the crystallographic structure of Fe, its thickness, and the presence…
The manipulation of magnetism with a gate voltage is expected to lead the way towards the realization of energy-efficient spintronics devices and high-performance magnetic memories. Exploiting magneto-ionic effects under micro-patterned…
We develop the multi-scale ab-initio scheme for correlated electrons (MACE) for transitionmetal-oxide heterostructures, and determine the parameters of the low-energy effective model. By separating Ti t2g bands near the Fermi level from the…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
Electronic and magnetic properties of the heavily H-doped LaFeAsO$_{1-x}$H$_x$ $(x\sim0.5 )$ were studied in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). We found a…
Magneto-resistance is a physical effect of great fundamental and industrial interest since it is the basis for the magnetic field sensors used in computer read-heads and Magnetic Random Access Memories. As device dimensions are reduced,…
In this study we present a theoretical investigation of the role that ferromagnetic plane (111) plays in the formation of magnetocrystalline anisotropy (MCA) effects in CoO and FeO monoxides. For this purpose, a first-principles…
We present a phenomenological scheme to study the size-dependent electric voltage-controlled magnetic anisotropy in ferromagnetic (FM)/ferroelectric (FE) heterostructures. The FM layers are either metallic Fe(001), Ni(001), Co(0001), or…