Related papers: Connection Between Magnetism and Structure in Fe D…
The advancement of spin-based devices as a replacement for CMOS technology demands lower spin-switching energy in ferromagnetic (FM) materials. Ferroelectric (FE) materials offer a promising avenue for influencing FM properties, yet the…
We report the magnetic phase diagram of Mn$_{1-x}$Fe$_{x}$PSe$_3$ which represents a random magnet system of two antiferromagnetic systems with mixed spin, mixed spin anisotropies, mixed nearest neighbor magnetic interactions and mixed…
We present first principles calculations of the magnetic moments and magnetic anisotropy energies of small Fe, Co and Ni clusters on top of a Ag(100) surface as well as the exchange-coupling energy between two single adatoms of Fe or Co on…
Spin-resonance modes (SRM) are taken as evidence for magnetically driven pairing in Fe-based superconductors, but their character remains poorly understood. The broadness, the splitting and the spin-space anisotropies of SRMs contrast with…
We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the…
The electronic structure and magnetism of Sr$_2$CeIrO$_6$, an Ir-based double perovskite system has been investigated using first-principles calculations. We found that a strong spin-orbit coupling dictate the electronic and magnetic…
Heterogeneous atomic magnetic chains are built by atom manipulation on a Cu$_2$N/Cu (100) substrate. Their magnetic properties are studied and rationalized by a combined scanning tunneling microscopy (STM) and density functional theory…
In using the fully relativistic versions of the Embedded Cluster and Screened Korringa-Kohn-Rostoker methods for semi-infinite systems the magnetic properties of single adatoms of Fe and Co on Ir(111) and Pt(111) are studied. It is found…
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…
Based on numerically accurate density functional theory (DFT) calculations, we systematically investigate the ground-state structure and the spin and orbital magnetism including the magnetic anisotropy energy (MAE) of 3d- and…
The magnetic anisotropy energy of Fe and Co monatomic nanowires both free-standing and at the step edge of a Pt surface is investigated within the framework of the density-functional theory and local-spin-density (LSDA) approximation.…
For anisotropic magneto-resistance (AMR) effect, its value synergistically depends on the magnitudes of magneto-resistance (MR) and magneto-crystalline anisotropy energy (MAE) simultaneously. In a magnetic material, the concurrence of…
The magnetic properties of black phosphorene nanoribbons are investigated using static and dynamical mean-field theory. Besides confirming the existence of ferromagnetic/antiferromagnetic edge magnetism, our detailed calculations using…
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…
Identifying the nature of a spin-flop (SFO) transition, first- or second-order (FO or SO), remains a major challenge in condensed-matter physics due to the technically undistinguishable effect of misalignment between applied-field direction…
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…
Electrically manipulating the quantum properties of nano-objects, such as atoms or molecules, is typically done using scanning tunnelling microscopes and lateral junctions. The resulting nanotransport path is well established in these model…
Octahedral Fe$^{2+}$ molecules are particularly interesting as they often exhibit a spin-crossover transition. In spite of the many efforts aimed at assessing the performances of density functional theory for such systems, an…
In ferromagnetic (FM) metal/organic semiconductor (OSC) heterostructures charge transfer can occur which leads to induction of magnetism in the non-magnetic OSC. This phenomenon has been described by the change in the density of states in…
The in-plane resistivity anisotropy has been studied with the Montgomery method on two detwinned parent compounds of the iron-based superconductors, NaFeAs and FeTe. For NaFeAs, the resistivity in the antiferromagnetic (AFM) direction is…