相关论文: Prediction of topological phases in metastable fer…
Using first-principles calculations we examine the band structures of ferromagnetic hexagonal manganites $\mathrm{YXO_3}$ (X=V, Cr, Mn, Fe and Co) in the nonpolar nonsymmorphic $P6_3/mmc$ space group. For $\mathrm{YVO_3}$ and…
The electronic structures and magnetic properties of strained monolayer MnPSe3 are investigated systematically by first-principles calculations. It is found that the magnetic ground state (GS) of monolayer MnPSe3 can be significantly…
Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…
The engineering of magnetic order and electronic states in two-dimensional (2D) materials is pivotal for advanced spintronic technologies. Despite their potential, the scarcity of intrinsic 2D ferromagnets remains a critical challenge.…
$\alpha$-Sn is an elemental topological material, whose topological phases can be tuned by strain and magnetic field. Such tunability offers a substantial potential for topological electronics. However, InSb substrates, commonly used to…
Hubbard-corrected density-functional theory has proven to be successful in addressing self-interaction errors in 3D magnetic materials. However, the effectiveness of this approach for 2D magnetic materials has not been extensively explored.…
The possibility of selecting magnetic space groups by orienting the magnetization direction or tuning magnetic orders offers a vast playground for engineering symmetry protected topological phases in magnetic materials. In this work, we…
At partial filling of a flat band, strong electronic interactions may favor gapped states harboring emergent topology with quantized Hall conductivity. Emergent topological states have been found in partially filled Landau levels and…
Materials with ferroelectrically switchable topological properties are of interest for both fundamental physics and practical applications. Using first-principles calculations, we find that stacking ferroelectric $\alpha$-In$_2$Se$_3$…
The electronic and magnetic properties of pristine CrPSe$_3$ and mixed Cr$_{1\textrm{-}x}$M$_x$PSe$_3$ (M = Zn, Cd, Hg) monolayers were studied using density functional theory including an on-site Coulomb term (DFT$+U$) and tight-binding…
Determination of the magnetic structure and confirmation of the presence or absence of inversion ($\mathcal{P}$) and time reversal ($\mathcal{T}$) symmetry is imperative for correctly understanding the topological magnetic materials. Here…
Magnetic topological systems based on MnBi2Te4 have recently attracted significant attention due to their rich interplay between magnetism and topological electronic states. In this work, using density functional theory (DFT), we…
The nature of the interaction between magnetism and topology in magnetic topological semimetals remains mysterious, but may be expected to lead to a variety of novel physics. We present $ab$ $initio$ band calculations, electrical transport…
In rare-earth monopnictides like NdBi, the interplay between magnetism and topology results in an extremely unusual topological semimetal phase which simultaneously hosts Weyl points with Fermi arcs as well as massive and massless Dirac…
The interplay between magnetic ordering and band topology has emerged as a fertile ground for discovering novel quantum states with profound implications for fundamental physics and next-generation electronics. Here, we theoretically…
Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and…
The magnetic and electronic properties of the magnetically doped topological insulator Bi$_{\rm 2-x}$Mn$_{\rm x}$Te$_3$ were studied using electron spin resonance (ESR) and measurements of static magnetization and electrical transport. The…
Magnetic topological materials and their physical signatures are a focus of current research. Here, by first-principles calculations and symmetry analysis, we reveal topological semimetal states in an existing antiferromagnet ThMn2Si2.…
The concept of electronic topology and the associated topological protection brings excellent opportunities for developing next-generation devices. Ideally, magnetic topological materials (MTM) should have their Dirac/Weyl points and/or…
Monolayer V2O3, a two-dimensional magnetic topological insulator with intrinsic ferromagnetic order and a nontrivial band gap, offers a promising platform for realizing quantum anomalous Hall (QAH) states. Using first-principles density…