相关论文: First-principles Study of Spiral Spin Density Wave…
1T$^{\prime}$ phase of the monolayer transition metal dichalcogenides has recently attracted attention for its potential in nanoelectronic applications. We theoretically prove the topological behavior and phase transition of…
We analyze magnetic phases of monolayers of transition metal dichalcogenides that are two-valley materials with electron-electron interactions. The exchange inter-valley scattering makes two-valley systems less stable to the spin…
The ground state of the bipartite $t$-$J$ model must satisfy a specific sign structure, based on which the single-hole and two-hole ground state $Ans\ddot{a}tze$ on honeycomb lattice are constructed and studied by a variational Monte Carlo…
Twisted heterostructures of van der Waals materials have received much attention for their many remarkable properties. Here, we present a comprehensive theory of the long-range ordered magnetic phases of twisted bilayer $\alpha$-RuCl$_3$…
Strong spin-orbit coupling in transition metal dichalcogenide (TMDC) monolayers results in spin resolvable band structures about the $K$ and $K'$ valleys such that the eigenbasis of a 2D quantum dot (QD) in a TMDC monolayer in zero field is…
The majority of research on $\alpha$-RuCl$_3$ has focused on applying in-plane magnetic fields to suppress antiferromagnetic order and induce a quantum spin liquid (QSL). However, this effort has been complicated by the materials…
We investigate the nature of doped Mott insulators using exact diagonalization and density matrix renormalization group methods. Persistent spin currents are revealed in the ground state, which are concomitant with a nonzero total momentum…
A theory of electronic properties of a spin-singlet quantum Hall droplet at filling factor $\nu=2$ in a parabolic quantum dot is developed. The excitation spectrum and the stability of the droplet due to the transfer of electrons into the…
We propose a new class of ground states for doped Mott insulators in the electron second-quantization representation. They are obtained from a bosonic resonating valence bond (RVB) theory of the t-J model. At half filling, the ground state…
The compound MnAu$_2$ is one of the oldest known spin-spiral materials, yet the nature of the spiral state is still not clear. The spiral cannot be explained via relativistic effects due to the short pitch of the spiral and the weakness of…
We study a ground-state ansatz for the single-hole doped $t$-$J$ model in two dimensions via a variational Monte Carlo (VMC) method. Such a single-hole wave function possesses finite angular momenta generated by hidden spin currents, which…
Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX$_2$ (M= V, Mn, Fe, Co, Ni; X = Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of…
In this work, the electrical properties of monolayer InSb in the presence of biaxial strain using density functional theory are investigated. Here, we first explore the band structure of InSb with and without spin-orbit coupling (SOC)…
We study the doping evolution of spin excitations in a 1D Hubbard model and its downfolded spin Hamiltonians, by using exact diagonalization combined with cluster perturbation theory. In all models, we observe hardening (softening) of spin…
Two-dimensional transition metal dichalcogenides have attracted great attention recently. Motivated by a recent study of crystalline bulk VTe$_2$, we theoretically investigated the spin-charge-lattice interplay in monolayer VTe$_2$. To…
Manganese monophosphide (MnP) shows complicated magnetic states varying with both temperature and pressure. We calculate the magnetic and electronic structures of MnP at different pressures using first-principles methods and obtain spiral…
We investigated the emergence of spin spiral ground state induced by the electric field in the bilayer zigzag graphene nanoribbons for the ferromagnetic edge states. To do that, we employed the generalized Bloch theorem to create flat…
Monolayer TaIrTe$_4$ has emerged as an attractive material platform to study intriguing phenomena related to topology and strong electron correlations. Recently, strong interactions have been demonstrated to induce strain and dielectric…
A characteristic of spin reversal in the presence of phonon-bottleneck is the deviation of the magnetization cycle from a reversible function into an opened hysterezis cycle. In recent experiments on molecular magnets (e.g. V$_{15}$ and…
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…