Related papers: Real-space first-principles approach to orbitronic…
Solid-state spin defects are attractive candidates for developing quantum sensors and simulators. The spin and charge degrees of freedom in large defect ensembles are a promising platform to explore complex many-body dynamics and the…
Accurate determination of carrier transport properties in two-dimensional (2D) materials is critical for designing high-performance nano-electronic devices and quantum information platforms. While first-principles calculations effectively…
We propose the creation and investigation of a system of spin-one fermions in the presence of artificial spin-orbit coupling, via the interaction of three hyperfine states of fermionic atoms to Raman laser fields. We explore the emergence…
Low-symmetry two-dimensional (2D) topological materials such as MoTe$_2$ host efficient charge-to-spin conversion (CSC) mechanisms that can be harnessed for novel electronic and spintronic devices. However, the nature of the various CSC…
Upon reduction of the film thickness we observe a metal-insulator transition in epitaxially stabilized, spin-orbit coupled SrIrO$_3$ ultrathin films. By comparison of the experimental electronic dispersions with density functional theory at…
Spin Hall effects are a collection of phenomena, resulting from spin-orbit coupling, in which an electrical current flowing through a sample can lead to spin transport in a perpendicular direction and spin accumulation at lateral…
We report on a general theory for analyzing quantum transport through devices in the Metal-QD-Metal configuration where QD is a quantum dot or the device scattering region which contains Rashba spin-orbital and electron-electron…
We present a fast and stable numerical technique to obtain the self-energy terms of electrodes for first-principles electron-transport calculations. Although first-principles calculations based on the real-space finite-difference method are…
We present a methodology to address, from first principles, charge-spin interconversion in two-dimensional materials with spin-orbit coupling. Our study relies on an implementation of density functional theory based quantum transport…
Information to be stored and transported requires physical carriers. The quantum bit of information (qubit) can for instance be realised as the spin 1/2 degree of freedom of a massive particle like an electron or as the spin 1 polarisation…
Based on the covariant hamiltonian formalism, we study the dynamics of spinning test bodies in the Kerr and Schwarzschild spacetimes. For the first time, we derive the exact solution of circular orbits in the Kerr plane without truncating…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
Context. Particle trapping in local or global pressure maxima in protoplanetary disks is one of the new paradigms in the theory of the first stages of planet formation. However, finding observational evidence for this effect is not easy.…
A self-consistent, mean-field model of charge-carrier injection and unipolar transport in an organic semiconductor diode is developed utilizing the effective transport energy concept and taking into account a realistic density-of-states…
We develop a Green's function formalism for spin transport through heterostructures that contain metallic leads and insulating ferromagnets. While this formalism in principle allows for the inclusion of various magnonic interactions, we…
The measurement of black hole spin is considered one of the key problems in relativistic astrophysics. Existing methods, such as continuum fitting, X-ray reflection spectroscopy and quasi-periodic oscillation analysis, have systematic…
We present a plane wave/pseudopotential implementation of the method to calculate electron transport properties of nanostructures. The conductance is calculated via the Landauer formula within formalism of Green's functions. Nonorthogonal…
The main problem in theoretical analysis of structures with strong confinement is the fact that standard mathematical tools: differential equations and Fourier's transformations are no longer applicable. In this paper we have demonstrated…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
We consider a hole-doped semiconductor with a sharp boundary and study the boundary spin accumulation in response to a charge current. First, we solve exactly a single-particle quantum mechanics problem described by the isotropic Luttinger…