相关论文: Stacking-dependent spin interactions in Pd/Fe bila…

Using density functional theory, we investigate the interplay between the stacking order and sequence of bilayers composed of an Fe and a Rh layer on the Re(0001) and their magnetic properties. We find that fcc/ffc stacked bilayers are…

Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh/Fe atomic bilayers on Ir(111). We find that higher-order exchange…

Employing $\textit{ab-initio}$ density functional theory (DFT), we performed a systematic investigation of the electronic structures and the magnetic properties of atomic bilayers composed of a 4$d$ transition-metal layer (Rh, Pd and Ru)…

Spin-polarized scanning tunneling microscopy is used to investigate the magnetic state of the Fe monolayer on Re(0001). Two coexisting atomic-scale non-collinear spin textures are observed with a sharp transition between them on the order…

We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies…

We use first-principles calculations based on density functional theory to investigate the magnetic exchange interaction of Fe clusters on Rh(111) and Ru(0001). We consider dimers, trimers, tetramers, and pentamers of different shape in fcc…

We use first-principles calculations based on density functional theory to study how the magnetic properties of an Fe monolayer on a W(001) surface -- exhibiting a $c(2 \times 2)$ antiferromagnetic ground state -- can be modified by an…

We present a detailed study of the ground-state magnetic structure of ultrathin Fe films on the surface of fcc Ir(001). We use the spin-cluster expansion technique in combination with the relativistic disordered local moment scheme to…

Ultrathin magnetic films on heavy metal substrates with strong spin-orbit coupling provide versatile platforms for exploring novel spin textures. So far, structurally open fcc(110) substrates remain largely terra incognita. Here, we…

We study the magnetic interactions in atomic layers of Fe and 5d transition-metals such as Os, Ir, and Pt on the (001) surface of Rh using first-principles calculations based on density functional theory. For both stackings of the 5d-Fe…

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…

We show that stable skyrmions with diameters of a few nanometers can emerge in atomic Pd/Fe bilayers on the Rh(111) surface. Based on density functional theory we calculate the exchange and the Dzyaloshinskii-Moriya interaction as well as…

We demonstrate the occurrence of compensated spin configurations in Fe clusters and monolayers on Ru(0001) and Rh(111) by a combination of X-ray magnetic circular dichroism experiments and first-principles calculations. Our results reveal…

The magnetic properties of thin Pd fcc(001) films with embedded monolayers of Fe are investigated by means of first principles density functional theory. The induced spin polarization in Pd is calculated and analyzed in terms of quantum…

Spin-polarized scanning tunneling microscopy is used to identify the magnetic state of different thin films on a Re(0001) substrate, which becomes superconducting below 1.7 K. All magnetic films contain an Fe/Ir interface, which is known to…

Using first-principles calculations and an atomistic spin model we predict the stabilization of a bilayer triple-Q state in an atomic Mn bilayer on Ir(111) due to interlayer higher-order exchange interactions. Based on density functional…

We present results of first-principles calculations of the magnetic properties of Fe chains deposited on the Re(0001) surface. By increasing the length of the chain, a transition is found from an almost collinear antiferromagnetic state for…

A new computational scheme is presented based on a combination of the conjugate gradient and the Newton-Raphson method to self-consistently minimize the energy within spin-density functional theory, thus to identify the ground state…

We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI$_2$) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a…

We present a systematic study of higher-order exchange interactions beyond the pair-wise Heisenberg exchange in transition-metal trilayers based on density functional theory calculations. We show that these terms can play an important role…