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Coulomb interaction between electrons lies at the heart of magnetism in solids. In contrast to conventional two-dimensional (2D) systems, electrons in monolayer transition metal dichalcogenides (TMDs) possess coupled spin and valley degrees…
We present a detailed study of the ground-state magnetic structure of ultrathin Fe films on the surface of fcc Ir(001). We use the spin-cluster expansion technique in combination with the relativistic disordered local moment scheme to…
Strong light-matter interactions within nanoscale structures offer the possibility of optically controlling material properties. Motivated by the recent discovery of intrinsic long-range magnetic order in two-dimensional materials, which…
Transition metals, Fe, Co and Ni, are the canonical systems for studying the effect of external perturbations on ferromagnetism. Among these, Ni stands out as it undergoes no structural phase transition under pressure. Here we have…
We report the systematic synthesis, crystal structure, magnetization, and powder neutron diffraction of single crystalline and polycrystalline CaCo$_2$TeO$_6$ samples. CaCo$_2$TeO$_6$ crystallizes in an orthorhombic structure with $Pnma$…
Competing electronic phases in two-dimensional transition metal dichalcogenides constitute a fertile platform for uncovering emergent ground states and elucidating the control parameters that govern the correlated electron phases. Among…
We perform a comprehensive theoretical study of the pressure-induced evolution of the electronic structure, magnetic state, and phase stability of the late transition metal monoxides MnO, FeO, CoO, and NiO using a fully charge…
Monolayer transition metal dichalcogenides feature tightly bound bright excitons at the degenerate valleys, where electron-hole Coulomb exchange interaction strongly couples the valley pseudospin to the momentum of exciton. Placed on…
The quadratic band crossing points (QBCPs) at Fermi level in two-dimension have been proposed to be unstable under electron-electron interaction. The possible interaction driven states include quantum anomalous Hall (QAH) state and various…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
Atomically thin films of layered chromium triiodide (CrI$_3$) have recently been regarded as suitable candidates to a wide spectrum of technologically relevant applications, mainly owing to the opportunity they offer to achieve a reversible…
The valley-related multiple topological phase transitions attracted significant attention due to their providing significant opportunities for fundamental research and practical applications. However, unfortunately, to date there is no real…
We present a comprehensive investigation of the magnetic properties of stage-1 graphite intercalated FeCl$_3$ using a combination of DC and AC magnetic susceptibility, thermoremanent magnetization and field dependent magnetization…
Charge transport through single molecules can be influenced by the charge and spin states of redox-active metal centres placed in the transport pathway. These molecular intrinsic properties are usually addressed by varying the molecules…
We present a theory that elucidates the major momentum and spin relaxation processes for electrons, holes and hot excitons in monolayer transition-metal dichalcogenides. We expand on spin flips induced by flexural phonons and show that the…
As one of the most intriguing states of matter, the chiral spin liquid (CSL) has attracted much scientific interest while its existence and mechanism in crystalline strongly correlated systems remain hotly debated. On the other hand, strong…
First-principles calculations have been performed in order to determine effective exchange integrals between strongly and weakly exchange-biased Co monolayers in the modulated CoCu$_2$/CoCu$_n$ superlattices. For $3\le n\le 6$ it has been…
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic…
A monolayer of CrI$_3$ is a two-dimensional crystal that in its equilibrium configuration is a ferromagnetic semiconductor, however, two coupled layers can be ferromagnetic or antiferromagnetic depending on the stacking. We study the…
We investigate metal-insulator transitions on an interacting two-dimensional Dirac fermion system using the determinant quantum Monte Carlo method. The interplay between Coulomb repulsion, disorder and magnetic fields, drives the otherwise…