Related papers: Dependence of the electronic structure of the EuS/…
We present a first-principles study of the electronic and magnetic properties of epitaxial interfaces between the Heusler compounds Ti$_2$MnIn and Ni$_2$MnIn and the III-V semiconductors, InSb and InAs, respectively. We use density…
Hybrid semiconductor-ferromagnetic insulator heterostructures are interesting due to their tunable electronic transport, self-sustained stray field and local proximitized magnetic exchange. In this work, we present lattice matched hybrid…
By means of relativistic density functional theory (DFT) calculations we study electron band structure of the topological insulator (TI) Bi$_2$Se$_3$ thin films deposited on the ferromagnetic insulator (FMI) EuS substrate. In the…
The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions are investigated using first-principles density-functional calculations. Abrupt and intermixed interfaces are considered, and the dependence of charge transfer,…
We have reconsidered the problem of spin injection across ferromagnet/non-magnetic-semiconductor (FM/NMS) and dilute-magnetic-semiconductor/non-magnetic-semiconductor interfaces, for structures with \textit{finite} magnetic layers (FM or…
The electronic structure at the interface between a topological band insulator and a Mott insulator is studied within layer dynamical mean field theory. To represent the bulk phases of these systems, we use the generalized…
We present a combined experimental and theoretical work that investigates the magnetic proximity effect at a ferromagnetic-insulator - superconductor (FI-S) interface. The simulation is based on the boundary condition for diffusive…
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…
Heterostructures made from topological and magnetic insulators promise to form excellent platforms for new electronic and spintronic functionalities mediated by interfacial effects. We report the results of a first-principles density…
The ability to perform efficient electrical spin injection from ferromagnetic metals into two-dimensional semiconductor crystals based on transition metal dichalcogenide monolayers is a prerequisite for spintronic and valleytronic devices…
We investigate a magnetic proximity effect on Dirac surface states of topological insulator (TI) induced by a Bi$_2$Se$_3$/EuS interface, using density-functional theory (DFT) and a low-energy effective model, motivated by a recent…
We consider a heterostructure consisting of a normal metal and a superconductor separated by a spin-active interface. At finite-bias voltages, spin-filtering and spin-mixing effects at the interface allow for an induced magnetization (spin…
We study the electronic properties of InAs/EuS/Al heterostructures as explored in a recent experiment [S. Vaitiekenas \emph{et al.}, Nat. Phys. (2020)], combining both spectroscopic results and microscopic device simulations. In particular,…
In this work we present the electronic band structure for (001)--CdTe interfaces with some other II--VI zinc blende semiconductors. We assume ideal interfaces. We use tight binding Hamiltonians with an orthogonal basis ($s p^3 s^*$). We…
Hybrid superconductor-semiconductor devices are currently one of the most promising platforms for realizing Majorana zero modes. Their topological properties are controlled by the band alignment of the two materials, as well as the…
We use density functional theory calculations to study the electronic structure of epitaxial (111) interfaces of the topological crystalline insulators SnSe and SnTe with the magnetic insulator EuS and the non-magnetic insulator CaTe,…
Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…
Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…
We study the electronic and magnetic properties of the interfaces between the half-metallic Heusler alloy NiMnSb and the binary semiconductors InP and GaAs using two different state-of-the-art full-potential \textit{ab-initio} electronic…