Related papers: A first-principles DFT+GW study of spin-filter and…
Due to non-linear structure, iterative Green's function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular…
The accurate prediction of the electronic properties of materials at a low computational expense is a necessary conditions for the development of effective high-throughput quantum-mechanics (HTQM) frameworks for accelerated materials…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
Quantitative prediction of electronic properties in correlated materials requires simulations without empirical truncations and parameters. We present a method to achieve this goal through a new ab initio formulation of dynamical mean-field…
The development of a spintronics device relies on efficient generation of spin polarized currents and their electric field controlled manipulation. While observation of exceptionally long spin relaxation lengths make graphene an intriguing…
We propose and theoretically analyze a novel metal-oxide-semiconductor field-effect-transistor (MOSFET) type of spin transistor (hereafter referred to as a spin MOSFET) consisting of a MOS gate structure and half-metallic-ferromagnet (HMF)…
Gapped metals, a recently proposed class of materials, possess a band gap slightly above or below the Fermi level, behaving as intrinsic p- or n-type semiconductors without requiring external doping. Inspired by this concept, we propose a…
We studied the diluted magnetic semiconductor by the self-consistent Green's function approach, which treats the spin-wave kinematics appropriately at finite temperatures. The critical temperature can be obtained by a simple formula in a…
We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects…
The use of the spin of the electron as the ultimate logic bit - in what has been dubbed spintronics - can lead to a novel way of thinking about information flow. At the same time single layer graphene has been the subject of intense…
The main object of investigation in magnonics, spin waves (SWs) are promising information carriers. Presently the most commonly studied are plane wave-like SWs and SWs propagating in confined structures, such as waveguides. Here we consider…
Spin field effect transistors (SpinFET) are an iconic class of spintronic devices that exploit gate tuned spin-orbit interaction in semiconductor channels interposed between ferromagnetic source and drain contacts to elicit transistor…
High spin polarization materials or spin filters are key components in spintronics, a niche subfield of electronics where carrier spins play a functional role. Carrier transmission through these materials is "spin selective" i.e. these…
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…
In this dissertation we use sophisticated numerical methods in order to examine ground-state (GS) properties of two types of quantum systems with electron electron interactions: A quantum dot (QD) and a nano-wire. In the first half of the…
We study the spin states of a few-electron quantum dot defined in a two-dimensional electron gas, by applying a large in-plane magnetic field. We observe the Zeeman splitting of the two-electron spin triplet states. Also, the one-electron…
A recent article [Phys. Rev. X 15, 011047 (2025)] utilizes group-equivariant convolutional neural networks to study the ground state of the kagome Heisenberg antiferromagnet. On the largest finite-size cluster studied to date ($N=108$), the…
Spin-triplet topological superconductors should exhibit many unprecedented electronic properties including fractionalized electronic states relevant to quantum information processing. Although UTe$_2$ may embody such bulk topological…
Due to strong spin-orbit coupling, charge carriers in three-dimensional quadratic band touching Luttinger semimetals have non-trivial wavefunctions characterized by a pseudospin of 3/2. We compute the dielectric permittivity of such…
Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors. In this review we present an overview of the basic electronic…