Related papers: Quasiparticle band structures, spontaneous polariz…
${\gamma}$-GeSe is a new type of layered bulk material that was recently successfully synthesized. By means of density functional theory first-principles calculations, we systematically studied the physical properties of two-dimensional…
Methods to generate spin-polarised electronic states in non-magnetic solids are strongly desired to enable all-electrical manipulation of electron spins for new quantum devices. This is generally accepted to require breaking global…
We study a simple microscopic model for thin, ferromagnetic, metallic layers on semi-infinite bulk superconductor. We find that for certain values of the exchange spliting, on the ferromagnetic side, the ground states of such structures…
Metal monochalcogenide GaSe is a classic layered semiconductor that has received increasing research interest due to its highly tunable electronic and optical properties for ultrathin electronics applications. Despite intense research…
We report ab initio calculations of the spin splitting of the uppermost valence band (UVB) and the lowermost conduction band (LCB) in bulk and atomically thin GaS, GaSe, GaTe, and InSe. These layered monochalcogenides appear in four major…
Electric polarization typically originates from non-centrosymmetric charge distributions in compounds. In elemental crystalline materials, chemical bonds between atoms of the same element favor symmetrically distributed electron charges and…
Large spin splitting in the conduction band (CB) and valence band (VB) of ferromagnetic semiconductors (FMSs), predicted by the influential mean-field Zener model[1,2] and assumed in many spintronic device proposals[3-8], has never been…
It has been generally accepted that the spin-orbit coupling effect in noncentrosymmetric materials leads to the band splitting and non-trivial spin polarization in the momentum space. However, in some cases, zero net spin polarization in…
We performed first-principles density functional theory (DFT) and GW calculations to investigate electronic structures of bulk and few-layer PdSe2. We obtained the quasiparticle band structure of bulk PdSe2, and the obtained energy gap…
We investigate the electronic structure of a two-dimensional electron gas created at the surface of the multi-valley semimetal 1T-PtSe$_2$. Using angle-resolved photoemission and first-principles-based surface space charge calculations, we…
A quasiparticle band structure of a single layer 2H-NbSe$_2$ is reported by using first-principles $GW$ calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape…
Abstract: We report on emergence of an abnormal electronic polarization in twisted double bilayer WSe2 in antiparallel interface stacking geometry, where local centrosymmetry of atomic registries at the twist interface does not favor the…
Monolayers of semiconducting transition metal dichalcogenides exhibit intriguing fundamental physics of strongly coupled spin and valley degrees of freedom for charge carriers. While the possibility of exploiting these properties for…
Germanium telluride features special spin-electric effects originating from spin-orbit coupling and symmetry breaking by the ferroelectric lattice polarization, which opens up many prospectives for electrically tunable and switchable spin…
Due to strong spin-orbit coupling, charge carriers in three-dimensional quadratic band touching Luttinger semimetals have non-trivial wavefunctions characterized by a pseudospin of 3/2. We compute the dielectric permittivity of such…
Layered hexagonal Gamma--GeSe, a new polymorph of GeSe synthesized recently, shows strikingly high electronic conductivity in its bulk form (even higher than graphite) while semiconducting in the case of monolayer (1L). In this work, by…
We propose a realization of an antisymmetric spin-split band structure through magnetic phase transitions without spin-orbit coupling. It enables us to utilize for a variety of magnetic-order-driven cross-correlated and nonreciprocal…
We present a detailed theoretical study of the electronic spectrum and Zeeman splitting in hole quantum wires. The spin-3/2 character of the topmost bulk-valence-band states results in a strong variation of subband-edge g factors between…
An existence of predominant symmetrical spin configuration (spin polarised phase) and "diluted" density of states (pseudo-gap) in a layer under the Fermi level in a quantum wire is predicted. The condition of cross-over from non-polarised…
We investigate how to engineer an antisymmetric spin-split band structure under spin density waves with finite ordering wave vectors in centrosymmetric systems without the relativistic spin-orbit coupling. On the basis of a perturbative…