Related papers: General spin models from noncollinear spin density…
We predict an unconventional spin-transfer torque (STT) acting on the magnetization of a free ferromagnetic (F) layer within N/TI/F vertical heterostructures which originates from strong spin-orbit coupling (SOC) on the surface of a…
We present a novel functional for spin density functional theory aiming at the description of non-collinear magnetic structures. The construction of the functional employs the spin-spiral-wave state of the uniform electron gas as reference…
The design of better exchange-correlation functionals for Density Functional Theory (DFT) is a central challenge of modern electronic structure theory. However, current developments are limited by the mathematical form of the functional,…
We have generalized the application of cumulant expansion to ferrimagnetic systems of large spins. We have derived the effective Hamiltonian in terms of classical variables for a quantum ferrimagnet of large spins. A noninteracting gas of…
Recent study (Yuan et. al., Phys. Rev. B 102, 014422 (2020)) revealed a SOC-independent spin splitting and spin polarization effect induced by antiferromagnetic ordering which do not necessarily require breaking of inversion symmetry or the…
A model-independent approach capable of extracting spin-wave frequencies and displacement vectors from ensembles of supercell spin configurations is presented. The method is appropriate for those systems whose spin-dynamical motion is well…
Soft Collinear Effective Theory (SCET) is an effective field theory of Quantum Chromodynamics (QCD) for processes where there are energetic, nearly lightlike degrees of freedom interacting with one another via soft radiation. SCET has found…
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…
The variational inclusion of spin-orbit coupling in self-consistent field (SCF) calculations requires a generalised two-component framework, which permits the single-determinant wave function to completely break spin symmetry. The…
We present a new method to accelerate real time-time dependent density functional theory (rt-TDDFT) calculations with hybrid exchange-correlation functionals. For large basis set, the computational bottleneck for large scale calculations is…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…
We propose a non-collinear spin-constrained method that generates training data for deep-learning-based magnetic model, which provides a powerful tool for studying complex magnetic phenomena that requires large-scale simulations at the…
We present a systematic derivation of effective lattice spin Hamiltonians derived from a rotationally invariant multi-orbital Hubbard model including a term ensuring Hund's rule coupling. The Hamiltonians are derived down-folding the…
While ferromagnet and topological material bilayers are widely studied to obtain efficient spin charge conversion via topological surface states (TSS), the influence of the magnetic proximity effect (MPE) on the TSS evolution and conversion…
Soft-collinear effective theory (SCET) is used to demonstrate factorization for event shape distributions in the two-jet region. The leading nonperturbative power corrections to these distributions can be characterized as shape functions…
Frustrated triangular molecular magnets (MMs) with anti-ferromagnetic ground states (GS) are an important class of magnetic systems with potential applications in quantum information processing. The two-fold degenerate GS of these…
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-dependent electric and magnetic fields. INQ is a specially…
Atomistic spin models have found enormous success in addressing the properties of magnetic materials, grounded on the identification of the relevant underlying magnetic interactions. The huge development in the field of magnetic skyrmions…
We extend the density functional perturbation theory formalism to the case of non-collinear magnetism. The main problem comes with the exchange-correlation (XC) potential derivatives, which are the only ones that are affected by the…