相关论文: Spectral and Fermi surface properties from Wannier…

The challenging problem of skew scattering for Hall effects in dilute ferromagnetic alloys, with intertwined effects of spin-orbit coupling, magnetism and impurity scattering, is studied here from first principles. Our main aim is to…

Discovering and engineering spin-polarised surface states in the electronic structures of condensed matter systems is a crucial first step in development of spintronic devices, wherein spin-polarised bands crossing the Fermi level can…

In many practical applications, spatial data are often collected at areal levels (i.e., block data) and the inferences and predictions about the variable at points or blocks different from those at which it has been observed typically…

We extend the Intrinsic Atomic Orbital (IAO) method for localisation of molecular orbitals to calculate well-localised generalised Wannier functions in crystals using the Pipek--Mezey locality metric. We furthermore present a one-shot…

We show that the spectral weights $W_{m\vec K}(\vec k)$ used for the unfolding of two-component spinor eigenstates $| {\psi_{m\vec K}^\mathrm{SC}} > = | \alpha > | {\psi_{m\vec{K}}^\mathrm{SC, \alpha}} > + | \beta > |…

Surface hopping has seen great success in describing molecular phenomena where electronic excitations tend to be localized, but its application to materials with band-like electronic properties has remained limited. Here, we derive a…

By using the exact Bethe wavefunctions of the one-dimensional Hubbard model with $N$ spin-up fermions and one spin-down impurity, we derive an analytic expression of the impurity form factor, in the form of a determinant of a $(N+1)$ by…

We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov-de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed…

A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice…

We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities…

Nonrelativistic Fermi liquids in d+1 dimensions exhibit generalized Fermi surfaces: (d-p)-dimensional submanifolds in the momentum-frequency space supporting gapless excitations. We show that the universality classes of stable Fermi…

We have developed a multi-orbital approach to compute the electronic structure of a quantum impurity using the non-crossing approximation. The calculation starts with a mean-field evaluation of the system's electronic structure using a…

This paper introduces a generalised 3rd-order Spectral Representation Method for the simulation of multi-dimensional stochastic fields with asymmetric non-linearities. The simulated random fields satisfy a prescribed Power Spectrum and…

We calculate the exact spectral function of a single impurity repulsively interacting with a bath of fermions in one-dimensional lattices, by deriving the explicit expression of the form factor for both regular Bethe states and the…

To predict smooth physical phenomena from observations, spline interpolation provides an interpretable framework by minimizing an energy functional associated with the Laplacian operator. This work proposes a methodology to construct a…

Two remarkable features emerge from the exact Wilsonian procedure for integrating out the high-energy scale in the Hubbard model. At low energies, the number of excitations that couple minimally to the electromagnetic gauge is less than the…

The derivatives of the Berry curvature $\Omega$ and intrinsic orbital magnetic moment m in momentum space are relevant to various problems, including the nonlinear anomalous Hall effect and magneto-transport within the Boltzmann-equation…

We consider a magnetic impurity deposited on the surface of a strong topological insulator and interacting with the surface modes by a Kondo exchange interaction. Taking into account the warping of the Fermi line of the surface modes, we…

A simple effective model for the intermediate-density regime is constructed from the high-density effective theory of quantum chromodynamics (QCD). In the effective model, under a renormalization-group (RG) scaling towards low momenta, the…

A representation of generalized Weierstrass formulae for an immersion of generic surfaces into a 4-dimensional complex space in terms of spinors treated as minimal left ideals of Clifford algebras is proposed. The relation between…