Related papers: 3d-oxide molecules to tailor large magnetic anisot…
Large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. Here, using ligand-field level diagrams and density functional calculations, we well explain the very recent discovery [I. G. Rau et al.,…
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…
Manipulating magnetic anisotropy (MA) purposefully in transition metal oxides (TMOs) enables the development of oxide-based spintronic devices with practical applications. Here, we report a pathway to reversibly switch the lateral magnetic…
Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3$d$ and 4$d$ transition metal dimers that have magnetic ground states in most cases. Some of these magnetic dimers have a considerable barrier against…
The magnetic moments and magnetic anisotropy energy (MAE) of CoRh alloy nanoparticles are determined experimentally and theoretically. Non-trivial correlations between chemical order, magnetic order and MAE are revealed. A remarkable…
Magnetism at the nanoscale has been a very active research area in the past decades, because of its novel fundamental physics and exciting potential applications. We have recently performed an {\it ab intio} study of the structural,…
The realization of spin based devices is one of the most aspiring goals of spintronics research. Single molecule magnets are an important class of nanoscale magnetic systems with potential to realize different spintronic devices where each…
In 5d transition metal oxides, novel properties arise from the interplay of electron correlations and spin--orbit interactions. Na4IrO4, where 5d transition-metal Ir atom occupies the center of the square-planar coordination environment, is…
By performing systematic $ab$ $initio$ density functional calculations, here we study two relativity-induced properties of atomically thin ferromagnetic (FM) Cr$_2$Ge$_2$Te$_6$ films [monolayer (ML), bilayer (BL) and trilayer (TL) as well…
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)…
The capacity to externally manipulate magnetic properties is highly desired from both fundamental and technological perspectives, particularly in the development of magnetoelectronics and spintronics devices. Here, using first-principles…
Continuous miniaturization of magnetic units in spintronics and quantum computing devices inspires efforts to search for magnetic nanostructures with large magnetic anisotropy energy (MAE). Typical nanostructures including molecular…
Search for ultrathin magnetic film with large perpendicular magnetocrystalline anisotropy (PMA) has been inspired for years by the continuous miniaturization of magnetic units in spintronics devices. The common magnetic materials used in…
Exploring giant magnetic anisotropy in small magnetic nanostructures is of both fundamental interest and technological merit for information storage. To prevent spin flipping at room temperature due to thermal fluctuation, large magnetic…
Large perpendicular magnetic anisotropy (MA) is highly desirable for realizing atomic-scale magnetic data storage which represents the ultimate limit of the density of magnetic recording. In this work, we studied the MA of transition metal…
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…
We report tight-binding (TB) and Density Function Theory (DFT) calculations of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic) and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are truncated…
Magnetic anisotropy (MA) is one of the most important material properties for modern spintronic devices. Conventional manipulation of the intrinsic MA, i.e. magnetocrystalline anisotropy (MCA), typically depends upon crystal symmetry.…
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…
The 5$d$ transition metal oxides, in particular iridates, host novel electronic and magnetic phases due to the interplay between onsite Coulomb repulsion ($U$) and spin-orbit coupling (SOC). The reduced dimensionality brings another degree…