Related papers: A first-principles DFT+GW study of spin-filter and…
Half-metallic Heusler alloys are amongst the most promising materials for future magnetoelectronic applications. We review some recent results on the electronic properties of these compounds. The origin of the gap in these half-metallic…
For materials which are incorrectly predicted by density functional theory to be metallic, an iterative procedure must be adopted in order to perform GW calculations. In this paper we test two iterative schemes based on the quasi-particle…
Computing the $GW$ quasiparticle bandstructure and Bethe-Salpeter Equation (BSE) absorption spectra for materials with spin-orbit coupling has commonly been done by treating $GW$ corrections and spin-orbit coupling as separate perturbations…
The spin-density wave (SDW) can be considered as a pair of charge density waves (CDWs), one composed only of electrons with up-spins and the other only of electrons with down-spins. The high-temperature superconductivity found in cuprates…
A novel material consisting of a monolayer of C$_{60}$ buckyballs with hexagonal symmetry has recently been observed experimentally, named graphullerene. In this study, we present a comprehensive \textit{ab-initio} theoretical analysis of…
Asymptotic properties of nearly-half-filled one-dimensional conductors coupled with phonons are studied through a renormalization group method. Due to spin-charge coupling via electron-phonon interaction, the spin correlation varies with…
First principles FPLAPWcalculations were performed in the framework of Density Functional Theory (DFT), to study the electronic structures and magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn). The investigated…
The prediction of ultra-low magnetic damping in Co 2 MnZ Heusler half-metal thin-film magnets is explored in this study and the damping response is shown to be linked to the underlying electronic properties. By substituting the Z elements…
Yttrium iron garnet magnetostatic wave (MSW) radio frequency (RF) cavity filters are promising for sixth-generation (6G) communication systems due to their wide frequency tunability. However, the presence of severe spurious modes arising…
To obtain accurate independent-particle descriptions for ferromagnetic two-dimensional van der Waals materials, we apply the quasiparticle self-consistent $GW$ (QSGW) method to VI$_3$, CrI$_3$, CrGeTe$_3$, and Fe$_3$GeTe$_2$. QSGW provides…
Quantum spin Hall (QSH) insulators have attracted intensive experimental and theoretical studies due to their beneficial applications in spintronic devices. Density functional theory (DFT) meets challenges when describing the electronic…
We study the structural, electronic, and magnetic properties of Co$_2$ZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is established through the formation and cohesive energy…
We propose the idea of a "spinguide", i.e. the semiconductor channel which is surrounded with walls from the diluted magnetic semiconductor (DMS) with the giant Zeeman splitting which are transparent for electrons with the one spin…
According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin…
In this investigation, we have used the density functional theory (DFT) to investigate several aspects of the half-Heusler compound HoPdBi. The following properties have been studied: spin polarized electronic properties, magnetic moment,…
Heusler compounds offer potential as spintronic devices due to their spin-polarization and half-metallicity properties, where electron spin-majority (minority) manifold exhibits states (band gap) at the electronic chemical potential,…
We study the magnetic phases of two coupled two-dimensional electron gases in order to determine under what circumstances these phases may occur in real semiconductor quantum wells and what the experimental properties of the broken-symmetry…
All-electric-controlled nonvolatile spin field-effect transistors (SFETs) based on two-dimensional (2D) multiferroic van der Waals (vdW) heterostructures hold great promise for advanced spintronics applications. However, their performance…
The integration of the spin degree of freedom in charge-based electronic devices has revolutionised both sensing and memory capability in microelectronics. Further development in spintronic devices requires electrical manipulation of spin…
Spin gapless semiconductors (SGSs) are a new class of zero gap materials which have a fully spin polarised electrons and holes. They bridge zero gap materials and half-metals. The band structures of the SGSs can have two types of energy…