Quantitative theory of magnetic interactions in solids
This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …
interactions of magnetic materials. This involves exchange mechanisms normally referred to …
Estimating patterns of classical and quantum skyrmion states
In this review we discuss the latest results concerning development of the machine learning
algorithms for characterization of the magnetic skyrmions that are topologically-protected …
algorithms for characterization of the magnetic skyrmions that are topologically-protected …
Engineering the Eigenstates of Coupled Spin- Atoms on a Surface
Quantum spin networks having engineered geometries and interactions are eagerly
pursued for quantum simulation and access to emergent quantum phenomena such as spin …
pursued for quantum simulation and access to emergent quantum phenomena such as spin …
Exchange parameters of strongly correlated materials: Extraction from spin-polarized density functional theory plus dynamical mean-field theory
In this paper we present an accurate numerical scheme for extracting interatomic exchange
parameters (J ij) of strongly correlated systems, based on first-principles full-potential …
parameters (J ij) of strongly correlated systems, based on first-principles full-potential …
Mechanisms and origins of half-metallic ferromagnetism in
Using a realistic low-energy model, derived from the first-principles electronic structure
calculations, we investigate the behavior of interatomic exchange interactions in CrO 2 …
calculations, we investigate the behavior of interatomic exchange interactions in CrO 2 …
Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
We present a computational method to quantitatively describe the linear-response
conductance of nanoscale devices in the Kondo regime. This method relies on a projection …
conductance of nanoscale devices in the Kondo regime. This method relies on a projection …
Theory of -edge spectroscopy of strongly correlated systems
X-ray absorption spectroscopy measured at the L edge of transition metals (TMs) is a
powerful element-selective tool providing direct information about the correlation effects in …
powerful element-selective tool providing direct information about the correlation effects in …
Efficient ab initio multiplet calculations for magnetic adatoms on MgO
Scanning probe microscopy and spectroscopy, and more recently, single-atom electron spin
resonance, have allowed the direct observation of electron dynamics at the atomic limit. The …
resonance, have allowed the direct observation of electron dynamics at the atomic limit. The …
Complete reversal of the atomic unquenched orbital moment by a single electron
The orbital angular moment of magnetic atoms adsorbed on surfaces is often quenched as a
result of an anisotropic crystal field. Due to spin-orbit coupling, what remains of the orbital …
result of an anisotropic crystal field. Due to spin-orbit coupling, what remains of the orbital …
Electronic and magnetic properties of single Fe atoms on a CuN surface: Effects of electron correlations
The electronic structure and magnetic properties of a single Fe adatom on a CuN surface
have been studied using density functional theory in the local spin density approximation …
have been studied using density functional theory in the local spin density approximation …