Related papers: Ab initio study on the possible magnetic topologic…
Diamond-structure materials have been extensively studied for decades, which form the foundation for most semiconductors and their modern day electronic devices. Here, we discover a e$_g$-orbital ($d_{z^2}$,$d_{x^2-y^2}$ ) model within the…
Using first-principles calculations, we studied Mn$_2$RuZ (Z=Al, Ga, Si, Ge) and their heterojunctions with MgO along (001) direction. All these alloys possess Hg$_2$CuTi-type inverse Heusler alloy structure and ferrimagnetic ground state.…
Spin gapless semiconductors exhibit a finite band gap for one spin channel and closed gap for other spin channel, emerged as a new state of magnetic materials with a great potential for spintronic applications. The first experimental…
The intrinsic anomalous Hall conductivity (AHC) in a ferromagnetic metal is completely determined by its band structure. Since the spin orientation direction is an important band-structure tuning parameter, it is highly desirable to study…
Dirac semimetals show nontrivial physical properties and can host exotic quantum states like Weyl semimetals and topological insulators under suitable external conditions. Here, by combining angle-resolved photoemission spectroscopy…
Antiferromagnetic (AFM) semiconductor MnS$_2$ possesses both high-spin and low-spin magnetic phases that can be reversibly switched by applying pressure. With increasing pressure, the high-spin state undergoes pressure-induced metalization…
We explore the intriguing topological itinerant magnet MgMn$_6$Sn$_6$, characterized by bilayer kagome Mn layers encasing a hexagonal Sn layer. Using \textit{ab initio} Density functional theory and Dynamical mean-field theory calculations,…
The distinct over-tilting of band crossings in topological semimetal generates the type-I and typeII classification of Dirac/Weyl and nodal-line fermions, accompanied by the exotic electronic and magnetic transport properties. In this work,…
Spin semimetals are amongst the most recently discovered new class of spintronic materials, which exhibit a band gap in one spin channel and semimetallic feature in the other, thus facilitating tunable spin transport. Here, we report…
Noncollinear magnets with near-zero net magnetization and nontrivial bulk electronic topology hold significant promise for spintronic applications, though their scarcity necessitates purposeful design strategies. In this work, we report a…
Materials that intrinsically possess both magnetism and topological states represent a key frontier of quantum materials research. Recently, Mn2(Bi/Sb)2Te5 has emerged as a promising candidate for hosting topological surface states coupled…
Spinel compound, MgV$_2$O$_4$, known as a highly frustrated magnet has been extensively studied both experimentally and theoretically for its exotic quantum magnetic states. However, due to its intrinsic insulating nature in its…
Strong spin-orbit coupling (SOC) can result in ground states with non-trivial topological properties. The situation is even richer in magnetic systems where the magnetic ordering can potentially have strong influence over the electronic…
Recently discovered high-quality nodal chain spin-gapless semimetals $M$F$_3$ ($M$ = Pd, Mn) feature an ultra-clean nodal chain in the spin up channel residing right at the Fermi level and displaying a large spin gap leading to a 100\%…
The antiferromagnetic (AFM) semimetal YbMnSb$_2$ has recently been identified as a candidate topological material, driven by time-reversal symmetry breaking. Depending on the ordered arrangement of Mn spins below the N\'{e}el temperature,…
Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase…
Fermi liquid theory provides a remarkably powerful framework for the description of the conduction electrons in metals and their ordering phenomena, such as superconductivity, ferromagnetism, and spin- and charge-density-wave order. A…
We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite…
Nodal-chain fermions, as novel topological states of matter, have been hotly discussed in non-magnetic materials. Here, by using first-principles calculations and symmetry analysis, we propose the realization of fully spin-polarized nodal…
The exploration of topological states is of significant fundamental and practical importance in contemporary condensed matter physics, for which the extension to two-dimensional (2D) organometallic systems is particularly attractive. Using…