Related papers: Half-metallic semiDirac point generated by quantum…
A computational study of the epitaxial Co2MnSi(001)/MgO(001) interface relevant to tunneling magnetoresistive (TMR) devices is presented. Employing ab initio atomistic thermodynamics, we show that the Co- or MnSi-planes of bulk-terminated…
Contrary to the antiferromagnetic and insulating character of bulk NiO, one-dimensional chains of this material can become half-metallic due to the lower coordination of their atoms. Here we present ab initio electronic structure and…
We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…
Two-dimensional electron gas due to semiconductor interfaces can have high mobility and exhibits superconductivity, magnetism, and other exotic properties that are unexpected in constituent bulk materials. We study crystal structures,…
3D Dirac semi-metals (DSMs) are materials that have massless Dirac electrons and exhibit exotic physical properties It has been suggested that structurally distorting a DSM can create a Topological Insulator (TI), but this has not yet been…
We investigate the interplay between confinement and the fermion doubling problem in Dirac-like Hamiltonians. Individually, both features are well known. First, simple electrostatic gates do not confine electrons due to the Klein tunneling.…
Room temperature ferromagnetism is observed in undoped TiO2 films deposited on Si substrates using pulsed laser deposition (PLD). The ferromagnetic properties of the samples depend on the oxygen partial pressure during the PLD synthesis.…
Nanoscale size-effects drastically alter the fundamental properties of semiconductors. Here, we investigate the dominant role of quantum confinement in the field-effect device properties of free-standing InAs nanomembranes with varied…
Interface states at a boundary between regions with different spin-orbit interactions (SOIs) in two-dimensional (2D) electron systems are investigated within the one-band effective mass method with generalized boundary conditions for…
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…
A strong coupling between electric polarization and elastic deformation in solids is an important factor in creating useful electromechanical nanodevices. Such coupling is typically allowed in insulating materials with inversion symmetry…
Two-dimensional (2D) topological insulators (TIs) have attracted tremendous research interest from both theoretical and experimental fields in recent years. However, it is much less investigated in realizing node line (NL) semimetals in 2D…
We report on first-principles calculations of multilayers of zinc-blende half-metallic ferromagnets CrAs and CrSb with III-V and II-VI semiconductors, in the [001] orientation. We examine the ideal and tetragonalised structures, as well as…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
Confining two dimensional Dirac fermions on the surface of topological insulators has remained an outstanding conceptual challenge. Here we show that Dirac fermion confinement is achievable in topological crystalline insulators (TCI), which…
The Si/SiO$_2$ interface is populated by isolated trap states which modify its electronic properties. These traps are of critical interest for the development of semiconductor-based quantum sensors and computers, as well as nanoelectronic…
A material's electronic topology, which is generally described via its Bloch states and the associated bandstructure, will be enriched by the presence of interactions. In metallic settings, the interactions are usually treated through the…
The combined effect of finite potential barriers and dielectric mismatch between dot and matrix on excitonic properties of semiconductor quantum dots has been studied. To avoid the unphysical divergence in the self-polarization energy which…
Weyl semimetals are a new member of the topological materials family, featuring a pair of singly degenerate Weyl cones with linear dispersion around the nodes in the bulk, and Fermi arcs on the surface. Depending on whether the system…
Room-temperature ferromagnetism has been recently discovered in Co-doped TiO$_2$ rutile. Our $ab$ $initio$ density-functional theory investigations show that the substitutional Co ions incorporated into TiO$_2$ rutile tend to cluster and…