相关论文: Using hyper-optimized tensor networks and first-pr…
We merge advanced ab initio schemes (standard density functional theory, hybrid functionals and the GW approximation) with model Hamiltonian approaches (tight-binding and Heisenberg Hamiltonian) to study the evolution of the electronic,…
Thermodynamic properties of the one-dimensional Kondo lattice model at half-filling are studied by the density matrix renormalization group method applied to the quantum transfer matrix. Spin susceptibility, charge susceptibility, and…
Studying finite-temperature properties with tensor networks is notoriously difficult, especially at low temperatures, due to the rapid growth of entanglement and the complexity of thermal states. Existing methods like purification and…
We present a second-order Green's-function theory of the one- and two-dimensional S=1/2 ferromagnet in a magnetic field based on a decoupling of three-spin operator products, where vertex parameters are introduced and determined by exact…
We present a comprehensive macroscopic thermodynamic study of the quasi-one-dimensional (1D) $s = \tfrac{1}{2}$ frustrated spin-chain system linarite. Susceptibility, magnetization, specific heat, magnetocaloric effect, magnetostriction,…
We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This approach allows us to evaluate the ground state and finite…
In the present paper, a study of the magnetic properties of a spin-1/2 Ising-Heisenberg Cairo pentagonal structure is presented. The model has been investigated in Ref. [34] in the absence of external magnetic field. Here, we consider the…
We demonstrate single atom anisotropic magnetoresistance on the surface of a topological insulator, arising from the interplay between the helical spin-momentum-locked surface electronic structure and the hybridization of the magnetic…
Heusler alloys have been intensively studied due to the wide variety of properties that they exhibit. One of these properties is of particular interest for technological applications, i.e. the fact that some Heusler alloys are…
We review basic computational techniques for simulations of various magnetic properties of solids. Several applications to compute magnetic anisotropy energy, spin wave spectra, magnetic susceptibilities and temperature dependent…
We derive an effective field theory model for magnetic topological insulators and predict that a magnetic electronic gap persists on the surface for temperatures above the ordering temperature of the bulk. Our analysis also applies to…
The presence of long-range quantum spin correlations underlies a variety of physical phenomena in condensed matter systems, potentially including high-temperature superconductivity. However, many properties of exotic strongly correlated…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
The 2-d spin 1/2 Heisenberg antiferromagnet with exchange coupling $J$ is investigated on a periodic square lattice of spacing $a$ at very small temperatures using the loop-cluster algorithm. Monte Carlo data for the staggered and uniform…
As an aid to the development of hydrogen separation membranes, we predict the temperature dependent phase diagrams using first principles calculations combined with thermodynamic principles. Our method models the phase diagram without…
We study the magnetic orbital response of a system of N interacting electrons confined in a two-dimensional geometry and subjected to a perpendicular magnetic field in the finite temperature Hartree-Fock approximation. The electron-electron…
The electronic properties, exchange interactions, finite-temperature magnetism, and transport properties of random quaternary Heusler Ni$_{2}$MnSn alloys doped with Cu- and Pd-atoms are studied theoretically by means of {\it ab initio}…
We present the quantum simulation of the frustrated quantum spin-$\frac{1}{2}$ antiferromagnetic Heisenberg spin chain with competing nearest-neighbor $(J_1)$ and next-nearest-neighbor $(J_2)$ exchange interactions in the real…
We introduce a tensor network method for approximating thermal equilibrium states of quantum many-body systems at low temperatures. Whereas the usual approach starts from infinite temperature and evolves the state in imaginary time (toward…
Quantum magnets with a large SU($N$) symmetry are a promising playground for the discovery of new forms of exotic quantum matter. Motivated by recent experimental efforts to study SU($N$) quantum magnetism in samples of ultracold fermionic…