Related papers: Real-space first-principles approach to orbitronic…
Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting…
The behavior of orbits in charged-particle beam transport systems, including both linear and circular accelerators as well as final focus sections and spectrometers, can depend sensitively on nonlinear fringe-field and high-order-multipole…
The class of transition metal compounds shows an enormous richness of physical properties, such as metal-insulator transitions, colossal magneto-resistance, super-conductivity, magneto-optics and spin-depend transport. It now becomes more…
Many interesting spin and orbital transport phenomena originate from orbital textures, referring to $\vec{k}$-dependent orbital states. Most of previous works are based on symmetry analysis to model the orbital texture and analyze its…
We present a systematic analysis on the basis of ab initio calculations and many-body perturbation theory for clarifying the dominant fluctuation in complex charge-spin-orbital coupled systems. For a tight-binding multiband model obtained…
We study inverse spin and orbital Hall effects in 19 transition metals using spin-pumping driven by ferromagnetic resonance. Spin-to-charge conversion was measured in YIG/X(5), while orbital-to-charge conversion was probed in YIG/Pt(2)/X(5)…
Particle transport and localization phenomena in condensed-matter systems can be modeled using a tight-binding lattice Hamiltonian. The ideal experimental emulation of such a model utilizes simultaneous, high-fidelity control and readout of…
The paramount acumen for controlling spin transport properties in nonmagnetic materials is the usage of spin-orbit coupling (SOC). We propose a model to calculate the spin hall angle (SHA) for the elemental transition metal dichalcogenide…
Strong light-matter coupling in Fabry-Perot cavities can modify ground-state molecular reactivity, charge and energy transport, while modifications to single-molecule properties have not been observed experimentally. The mechanisms and…
Orbitronics explores the control and manipulation of electronic orbital angular momentum in solid-state systems, opening new pathways for information processing and storage. One significant advantage of orbitronics over spintronics is that…
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive…
We describe some field theoretic methods for studying quantum spin systems in one dimension. These include the nonlinear sigma-model approach which is particularly useful for large values of the spin, the idea of Luttinger liquids and…
The essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method are represented with no inherent geometrical approximation.…
Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work introduces a multiscale modeling framework that links atomistic…
Orbital-free density functional theory (OF-DFT) is a promising method for large-scale quantum mechanics simulation as it provides a good balance of accuracy and computational cost. Its applicability to large-scale simulations has been aided…
Inspired by recent experiments, we have theoretically explored the nature of itineracy in CoV$_2$O$_4$ under pressure and investigated, using first principles density functional theory calculations, if it has any magnetic and orbital…
Orbital magnetism is a purely quantum phenomenon that reflects intrinsic electronic properties of solids, yet its microscopic description in interacting multiband systems remains incomplete. We develop a general quantum many-body framework…
We revisit the problem of electron transport through mesoscopic rings with spin-orbit (SO) interaction. In the well-known path-integral approach, the scattering states for a quasi-1D ring with quasi-1D leads can be expressed in terms of…
We study spin effects in the magneto-conductance of ballistic mesoscopic systems subject to inhomogeneous magnetic fields. We present a numerical approach to the spin-dependent Landauer conductance which generalizes recursive Green function…
A general form of the Hamiltonian for electrons confined to a curved one-dimensional (1D) channel with spin-orbit coupling (SOC) linear in momentum is rederived and is applied to a U-shaped channel. Discretizing the derived continuous 1D…