Related papers: Novel Chern insulators with half-metallic edge sta…
Electronic and topological properties of MoS2 monolayers endowed with 3d transition metal (TM) adatoms (V-Fe) are explored by using ab initio methods and k.p models. Without the consideration of the Hubbard U interaction, the V, Cr, and Fe…
A Chern insulator (quantum anomalous Hall insulator) phase is demonstrated to exist in a typical semi-Dirac system, the TiO2/VO2 heterostructure. By combining first-principles calculations with Wannier-based tight-binding model, we…
Recent experimental discovery of fractional Chern insulator in moir\'e Chern band in twisted transition metal dichalocogenide homobilayers has sparked intensive interest in exploring the ways of engineering band topology and correlated…
We predict intrinsic half-metallicity in armchair boron nitride nanoribbons (ABNNRs) via edge fluorination. The stability, electronic and magnetic properties of bare and edge fluorinated ABNNRs have been systematically analyzed by means of…
The topological and thermoelectric properties of (EuO)$_{n}$/(MgO)$_{m}$(001) superlattices (SLs) are explored using density functional theory calculations including a Hubbard $U$ term together with Boltzmann transport theory. In…
The experiments in quantum spin Hall insulator candidate materials, such as HgTe/CdTe and InAs/GaSb heterostructures, indicate that in addition to the topologically protected helical edge modes these multilayer heterostructures may also…
We propose a concept of half-semiconductor antiferromagnets in which both spin-polarized valence and conduction bands belong to the same spin channel with completely compensated spontaneous magnetization. Using density functional theory…
We report the theoretical prediction of a new class of spintronic materials, namely bipolar magnetic semiconductor (BMS), which is also supported by our experimental data. BMS acquires a unique band structure with unequal band gaps for spin…
Fe$M_2X_4$ spinels, where $M$ is a transition metal and $X$ is oxygen or sulfur, are candidate materials for spin filters, one of the key devices in spintronics. We present here a computational study of the inversion thermodynamics and the…
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…
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 $\textit{XYZ}$ half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr, Mn, Fe, Ni,…
We present state-of-the-art electronic structure calculations for the Co$_2$MnSn full-Heusler alloy. We show that in its bulk form it is a half-metallic ferromagnet with the Fermi level being located within a tiny gap of the minority-spin…
Half-metals, featuring ideal 100\% spin polarization, are widely regarded as key materials for spintronic and quantum technologies; however, the half-metallic state is intrinsically fragile, as it relies on a delicate balance of exchange…
We propose and investigate the properties of a digital ferromagnetic heterostructure (DFH) consisting of a $\delta$-doped layer of Mn in Si, using \textit{ab initio} electronic-structure methods. We find that (i) ferromagnetic order of the…
3D Dirac semimetals are an emerging class of materials that possess topological electronic states with a Dirac dispersion in their bulk. In nodal-line Dirac semimetals, the conductance and valence bands connect along a closed path in…
Two-dimensional (2D) metallic altermagnets present exciting opportunities for both fundamental research and practical innovations. Their ability to enhance tunneling magnetoresistance in magnetic tunnel junctions, combined with the direct…
Spintronics aims to exploit the spin degree of freedom in solid state devices for data storage and information processing technologies. The fundamental spintronic device concepts such as creation, manipulation and detection of spin…
In this letter, we report the discovery of a new class of spintronic materials, namely spin semi-metals (SSM), employing both theoretical and experimental tools. The band structure of this class of materials is such that one of the spin…
Topological materials host fascinating low dimensional gapless states at the boundary. As a prominent example, helical topological edge states (TESs) of two-dimensional topological insulators (2DTIs) and their stacked three-dimensional (3D)…
Fractionally charged elementary excitations, the quasi-electron and quasi-hole, are one of the hallmarks of the fractional Chern insulator (FCI). In this work, we observe that spontaneous spin polarization in twisted MoTe$_2$ leads to…