Related papers: On-site approximation for spin-orbit coupling in L…
We investigate the two-dimensional (2D) highly spin-polarized electron accumulation layers commonly appearing near the surface of n-type polar semiconductors BiTeX (X = I, Br, and Cl) by angular-resolved photoemission spectroscopy. Due to…
We propose a method for engineering spin dynamics in ensembles of integer-spin atoms confined within a high-finesse optical cavity. Our proposal uses cavity-assisted Raman transitions to engineer a Dicke model for integer-spin atoms, which,…
Recent experimental breakthroughs, particularly for single-qubit and two-qubit gates exceeding the error correction threshold, highlight silicon spin qubits as leading candidates for fault-tolerant quantum computation. In the existing…
We propose an approach to produce spin squeezed states of a large number of nitrogen-vacancy centers in diamond nanostructures coupled to an optical cavity. Unlike the previous squeezing method proposed by Bennett et al. [Phys. Rev. Lett.…
We propose a method for generating high-fidelity multipartite spin-entanglement of ultracold atoms in an optical lattice in a short operation time with a scalable manner, which is suitable for measurement-based quantum computation. To…
We study the spin-resolved spectral properties of the impurity states associated to the presence of magnetic impurities in two-dimensional, as well as one-dimensional systems with Rashba spin-orbit coupling. We focus on Shiba bound states…
We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its high accuracy. Further comparison with all-electron…
First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
The total energies and the spin states for atoms and their first ions with Z = 1-86 are calculated within the the local spin-density approximation (LSDA) and the generalized-gradient approximation (GGA) to the exchange-correlation (xc)…
We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…
We develop time-splitting finite difference methods, using implicit Backward-Euler and semi-implicit Crank-Nicolson discretization schemes, to study the spin-orbit coupled spinor Bose Einstein condensates with coherent coupling in quasi-one…
Synthetic spin-orbit coupling (SOC) in controlled quantum systems such as cold atoms or trapped ions has been of great interest. Here we show, both theoretically and computationally, a simplest realization of SOC using two-level cold atoms…
A review of methods for finding general expressions for matrix elements (non-diagonal with respect to configurations included) of any one- and two-particle operator for an arbitrary number of shells in an atomic configuration is given.…
We introduce a $p_{z}-d$ coupling model Hamiltonian for the $\pi$-graphene/Au bands that predicts a rather large intrinsic spin-orbit (SO) coupling as are being reported in recent experiments and DFT studies. Working within the analytical…
Recent interest in orbital angular momentum has led to a rapid expansion of research on spin-orbit coupling effects in solids, while also highlighting significant technical challenges. The breaking of rotational symmetry renders the orbital…
We investigated the reliability and applicability of so-called magnetic force linear response method to calculate spin-spin interaction strengths from first-principles. We examined the dependence on the numerical parameters including the…
A new type of effective atomic pseudopotential for passivation of semiconductor surfaces is presented. It is shown that the spherical approximation used in the effective and empirical pseudopotential methods is not suitable for describing…
We show that by switching on a spin-orbit interaction in a cold-atom system, experiencing a Zeeman-like coupling to an external field, e.g., in a Bose-Einstein condensate, one can simulate a quantum measurement on a precessing spin.…
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, localized basis functions for the associated subspace. Our…