Related papers: Magnetic ground state of supported monatomic Fe ch…
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 ground state properties of the Shastry-Sutherland model in the presence of an external field are investigated by means of variational states built up from unpaired spins (monomers) and singlet pairs of spins (dimers). The minimum of the…
Clarifying the magnetic ground state is essential for analysing unconventional superconductivity, because microscopic magnetic order provides one of the basic starting assumptions for spin-fluctuation pairing theories. FeSe exhibits…
We investigate properties of a spin-1 Heisenberg model with extended and biquadratic interactions, which captures crucial aspects of the low energy physics in FeSe. While we show that the model exhibits a rich phase diagram with four…
Magnetic adatom chains on superconductors provide a platform to explore correlated spin states and emergent quantum phases. Using low-temperature scanning tunneling spectroscopy, we study the distance-dependent interaction between Fe atoms…
We obtain the ground state magnetization of the Heisenberg and XXZ spin chains in a magnetic field $h$ as a series in $\sqrt{h_c-h}$, where $h_c$ is the smallest field for which the ground state is fully polarized. All the coefficients of…
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…
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…
We study the ground-state properties of a spin-1/2 model on a chain containing four-spin Ising-like interactions in the presence of both transverse and longitudinal magnetic fields. We use entanglement entropy and finite-size scaling…
We develop a local spin model to explain the rich magnetic structures in the iron-based superconductors $Fe_{1+y}Te_{1-x}Se_x$. We show that our model exhibits both commensurate antiferromagnetic and incommensurate magnetic order along the…
We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations…
We apply Projected Hartree-Fock theory (PHF) for approximating ground states of Heisenberg spin clusters. Spin-rotational, point-group and complex-conjugation symmetry are variationally restored from a broken-symmetry mean-field reference,…
Understanding and quantifying entanglement entropy is crucial to characterize the quantum behaviors that drive phenomena in a variety of systems. Rare-earth spin complexes, with their unique magnetic properties, provide fertile ground for…
The orbital contribution to the magnetic properties of Fe in systems of decreasing dimensionality (bulk, surfaces, wire and free clusters) is investigated using a tight-binding hamiltonian in an $s, p,$ and $d$ atomic orbital basis set…
Based on the Korringa-Kohn-Rostoker Green's function technique we present a computational scheme for calculating the electronic structure of layered systems with homogeneous spin-spiral magnetic state. From the self-consistent…
The excitation spectrum of the one-dimensional spin-orbital model in a magnetic field is studied, using a recently developed dynamical density matrix renormalization group technique. The method is employed on chains with up to 80 sites, and…
In this work, we systematically study the electronic structure and stability of spin states of the [Fe-(tpy-ph)$_2$]$^{2+}$ molecule in both gas phase and on a Au(111) substrate using density functional theory +U (DFT+U) calculations. We…
We study ground-state properties of the Heisenberg frustrated spin chain with interactions up to fourth nearest neighbors by the exact-diagonalization method and the density matrix renormalization group method. We find that ferrimagnetism…
The structural, magnetic, and electronic properties of NdFe$_{0.5}$Mn$_{0.5}$O$_3$ have been studied in detail using bulk magnetization, neutron/x-ray diffraction and first principles density functional theory calculations. The material…
Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations…