Related papers: Persistent spin helix on a wurtzite ZnO(10-10) sur…
Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. We use first-principles density functional theory with a hybrid functional to…
Wide-bandgap oxides such as ZnO are favorable hosts for spin defect qubits due to their dilute nuclear spin background and potential for ultra-high purity. Yet, a deep-level defect qubit with robust optical and spin properties has not been…
In several strongly correlated electron systems, defects, charge and local lattice distortions are found to show complex inhomogeneous spatial distributions. There is growing evidence that such inhomogeneity plays a fundamental role in…
The structural inversion asymmetry-induced spin-orbit interaction of conduction band electrons in zinc-blende and wurtzite semiconductor structures is analysed allowing for a three-dimensional (3D) character of the external electric field…
We study the electronic structure of the Re(0001) surface by means of ab-initio techniques based on the Fully Relativistic (FR) Density Functional Theory (DFT) and the Projector Augmented-Wave (PAW) method. We identify the main surface…
The energy efficiency of the spin Hall effects (SHE) can be enhanced if the electrical conductivity is decreased without sacrificing the spin Hall conductivity. The resistivity of Pt films can be increased to 150-300 {\mu}{\Omega}*cm by…
Halide perovskites have emerged as one of the most interesting materials for optoelectronic applications due to their favorable properties, such as defect-tolerance and long charge carrier lifetimes, which are attributed to their dynamic…
The development of new exchange-correlation functionals within density functional theory means that increasingly accurate information is accessible at moderate computational cost. Recently, a newly developed self-consistent hybrid…
The high index (441) surface of bismuth has been studied using Scanning Tunnelling Microscopy (STM), Angle Resolved Photoemission Spectroscopy (APRES) and spin-resolved ARPES. The surface is strongly corrugated, exposing a regular array of…
Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and occurrence. Using a combination of experimental techniques, we investigated the thermodynamics of the two polymorphs, sphalerite and wurtzite at…
We construct a quasi-two-dimensional Su Schrieffer-Heeger model (SSH) like model and uncover a rich set of topological phases with nontrivial spin textures in the presence of complex hopping and spin orbit coupling. Despite its simple…
Persistent spin textures (PSTs) in momentum space have the potential to enable spintronic devices which are currently limited by low spin lifetimes in nonmagnetic spin-orbit coupled materials. We perform a first-principles study on the…
The theory of spin drift and diffusion in two-dimensional electron gases is developed in terms of a random walk model incorporating Rashba, linear and cubic Dresselhaus, and intersubband spin-orbit couplings. The additional subband degree…
The formation and stability of a sulfur-rich surface of the zinc blende ZnS (001) single crystal have been examined by x-ray photoemission spectroscopy (XPS), low-energy electron diffraction (LEED), and density-functional theory (DFT)…
Using density-functional theory in combination with a thermodynamic formalism we calculate the relative stability of various structural models of the polar O-terminated (000-1)-O surface of ZnO. Model surfaces with different concentrations…
Soft x-ray emission and absorption spectroscopy of the O K-edge are employed to investigate the electronic structure of wurtzite ZnO(0001). A quasiparticle band structure calculated within the GW approximation agrees well with the data,…
Quantum spin Hall (QSH) insulators are versatile platforms for exploring exotic quantum phases, especially when combined with high-order van Hove singularities (VHSs) that enhance electron correlations. However, perfect spin Hall…
Persistent spin textures (PST) are special spin configurations in spin-orbit-coupled systems in which the spin polarization acquires a symmetry-enforced momentum-independent orientation, leading to exceptionally long spin lifetimes and…
In this paper we report structural and optical properties of Magnesium substituted Zinc Oxide (Zn1-xMgxO) nanocrystals (~10-12nm) synthesized by low temperature route. In the low temperature synthesis route it was possible to reach x = 0.17…
The standard approach to realize a spin liquid state is through magnetically frustrated states, relying on ingredients such as the lattice geometry, dimensionality, and magnetic interaction type of the spins. While Heisenberg spins on a…