Related papers: Magnetism in doped two-dimensional honeycomb struc…
Disorder and doping have profound effects on the intrinsic physical mechanisms of superconductivity. In this paper, we employed the determinant quantum Monte Carlo method to investigate the symmetry-allowed superconducting orders on the…
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magnet and magnetocaloric applications. The thermodynamical,…
The magnetic properties of the two-dimensional, S=1 honeycomb antiferromagnet BaNi$_2$V$_2$O$_8$ have been comprehensively studied using DC susceptibility measurements and inelastic neutron scattering techniques. The magnetic excitation…
We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…
We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5$d$ elements we find orbital moments of the order of 0.3-0.5 $\mu_\mathrm{B}$,…
The structures and magnetic properties of the Co-Zr-B alloys near the Co5Zr composition were studied using adaptive genetic algorithm and first-principles calculations to guide further experimental effort on optimizing their magnetic…
We present a first-principles study of the atomic, electronic, and magnetic properties of two-dimensional (2D), single and bilayer ZnO in honeycomb structure and its armchair and zigzag nanoribbons. In order to reveal the dimensionality…
We investigate the multiparticle ring exchange couplings of the two-dimensional triangular Wigner crystal in external commensurate triangular and honeycomb potentials, using a semiclassical approach valid in the regime where Coulomb…
High field electron spin resonance, nuclear magnetic resonance and magnetization studies addressing the ground state of the quasi two-dimensional spin-1/2 honeycomb lattice compound InCu{2/3}V{1/3}O{3} are reported. Uncorrelated finite size…
We study the effects of magnetization on the properties of the doped topological insulator with nematic superconductivity. We found that the direction of the in-plane magnetization fixes the direction of the nematicity in the system. The…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
The structural and magnetic properties of transition metal-doped Mn$_3$SnC are studied with an aim to understand the effect of transition metal atom on magnetostructural properties of the antiperovskite compound. The doped…
The structure and magnetic properties in doped Heusler alloys of Mn2CoGa and Mn2CoAl have been investigated by experiments and calculations. The main group elements of Ga and Al are substituted by the magnetic or non-magnetic transition…
We establish the phase diagram of the Hubbard model on a cubic lattice for a wide range of temperatures, dopings and interaction strengths, considering both commensurate and incommensurate magnetic orders. We use the dynamical mean-field…
Defects intentionally introduced into magnetic materials often have a profound effect on the physical properties. Specifically tailored neutron spectroscopic experiments can provide detailed information on both the local exchange…
Inspired by recent advances in the fabrication of surface superlattices, and in particular the triangular lattice made of tin (Sn) atoms on silicon, we study an extended Hubbard mode on a triangular lattice. The observations of magnetism in…
A Mn dopant in a III-V semiconductor produces a highly-entangled, coherent triplet ground state not fully captured by single-determinant theories of electron structure. We directly construct an analytic form for its ground-state…
How does magnetism behave when the physical dimension is reduced to the size of nanostructures? The multiplicity of magnetic states in these systems can be very rich, in that their properties depend on the atomic species, the cluster size,…
Using an exact mapping transformation method, magnetic properties of a spin-1/2 and spin-1 doubly decorated Ising-Heisenberg model are investigated in detail. By assuming that both interaction parameters are ferromagnetic, we found in…
Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequenceis analysis, we predict a new family of two-dimensional materials based on the idea…