相关论文: Efficient magnetic superstructure optimization wit…
According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin…
An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…
Landau's quantization for incompletely nested Fermi surfaces is known to give rise to magnetic-field-induced spin-density waves(FISDW) in two-dimensional organic metals. Here we show that three-dimensional(3D) systems can have 3D-specific…
Identifying materials with an efficient spin-to-charge conversion is crucial for future spintronic applications. The spin Hall effect is a central mechanism as it allows for the interconversion of spin and charge currents. Spintronic…
We construct three-orbital tight-binding models describing single-component molecular conductors [Pt(dmdt)$_2$] and [Ni(dmdt)$_2$] using first-principles calculations. We show that [Ni(dmdt)$_2$] is a Dirac nodal line system with highly…
Recent experiments demonstrate that spin dynamics may acquire an inertial effect in a few metallic magnets, deviating from the traditional inertia-free dynamics. It remains an open question to ascertain the physical mechanisms and…
The influence of an external magnetic field on a quasi one-dimensional system with a charge density wave (CDW) instability is treated within the random phase approximation which includes both CDW and spin density wave correlations. We show…
We present a systematically improvable tensor hypercontraction (THC) factorization based on interpolative separable density fitting (ISDF). We illustrate algorithmic details to achieve this within the framework of Becke's atom-centered…
Rotating wave approximation in a quantum spin system driven by a linearly polarized alternating magnetic field with quadrupole interaction presents is investigated in detail in this paper. The conventional way to employ the rotating wave…
Recent work has demonstrated that quantum Fisher information (QFI), a witness of multipartite entanglement, and magnetic Van Hove correlations $G(r,t)$, a probe of local real-space real-time spin dynamics, can be successfully extracted from…
Materials with spin-orbit coupling are of great interest for various spintronics applications due to the efficient electrical generation and detection of spin-polarized electrons. Over the past decade, many materials have been studied,…
We study the effects of spatially localized breakdown of time reversal symmetry on the surface of a topological insulator (TI) due to proximity to a helical spin density wave (HSDW). The HSDW acts like an externally applied one-dimensional…
We present an optimization study of the spin sensitivity of nanoSQUIDs based on resistively shunted grain boundary Josephson junctions. In addition the dc SQUIDs contain a narrow constriction onto which a small magnetic particle can be…
We present an optimization study of the spin sensitivity of nanoSQUIDs based on resistively shunted grain boundary Josephson junctions. In addition the dc SQUIDs contain a narrow constriction onto which a small magnetic particle can be…
We introduce a new method for estimating the Ideal Time-Frequency Representation (ITFR) of complex nonstationary signals. The Reconstructive Ideal Fractional Transform (RIFT) computes a constellation of Continuous Fractional Wavelet…
We predict a mechanism of spontaneous stabilization of a uniaxial density wave in a two-dimensional metal with an isotropic Fermi surface in the presence of external magnetic field. The topological transformation of a closed Fermi surface…
We provide a brief review and detailed analysis of the spin-orbit density wave (SODW), proposed as a possible explanation to the `hidden order' phase of URu2Si2. Due to the interplay between inter-orbital Coulomb interaction and spin-orbit…
Seismic full-waveform inversion (FWI), which uses iterative methods to estimate high-resolution subsurface models from seismograms, is a powerful imaging technique in exploration geophysics. In recent years, the computational cost of FWI…
Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth…