相关论文: Ab initio ligand field approach to determine elect…
A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the…
The most popular electronic structure method, the linear muffin-tin orbital method (LMTO), in its full-potential (FP) and relativistic forms has been extended to calculate the spectroscopic properties of materials form first principles,…
Measuring the magnetic field of permanent magnets can be challenging, but recent research has demonstrated the potential of using deformed diamagnetic liquids to estimate the magnetic field. In this paper, we explore two methods for…
We investigate intra-Landau-level collective excitations in a bilayer disordered two-dimensional electron system exposed to a perpendicular magnetic field. The energy spectrum is calculated within the random phase approximation by taking…
Electromagnetic interaction between a sub-wavelength particle (the `probe') and a material surface (the `sample') is studied theoretically. The interaction is shown to be governed by a series of resonances corresponding to surface polariton…
Electronic structures and optical excitations in Moebius conjugated polymers are studied theoretically. Periodic and Moebius boundary conditions are applied to the tight binding model of poly(para-phenylene), taking into account of the…
We report the electronic structure of monoclinic CuO as obtained from first principles calculations utilizing density functional theory plus effective Coulomb interaction (DFT + U) method. In contrast to standard DFT calculations taking…
We present a joint implementation of dynamical-mean-field theory (DMFT) with the pseudopotential plane-wave approach, via Wannier functions, for the determination of the electronic properties of strongly correlated materials. The scheme…
The Landau Fermi Liquid parameters are calculated for charge neutral asymmetric nuclear matter in beta equilibrium at zero temperature in the presence of a very strong magnetic field with relativistic mean-field models. Due to the isospin…
We propose to use local electromagnetic noise spectroscopy as a versatile and noninvasive tool to study Wigner crystal phases of strongly-interacting two-dimensional electronic systems. In-plane imaging of the local noise is predicted to…
We present an approach that combines the local density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane waves (FLAPW) method. Wannier-like functions for the…
Attosecond nonlinear Fourier transform (NFT) pump probe spectroscopy is an experimental technique which allows investigation of the electronic excitation, ionization, and unimolecular dissociation processes. The NFT spectroscopy utilizes…
We analyse two cases of the minimal extension of the Standard Model when one or two right-handed fields are added to the three left-handed fields. A second Higgs doublet (two Higgs doublet model - 2HDM) is included in our model. We…
In this paper, we propose to study spectral measures on local fields. Some basic results are presented, including the stability of Bessel sequences under perturbation, the Landau theorem on Beurling density, the law of pure type of spectral…
In Landau theory of Fermi liquids, the particle-hole interaction near the Fermi energy in different spin-isospin channels is probed in terms of an expansion over the Legendre polynomials. This provides a useful and efficient way to…
A method to calculate the crystal field parameters {\it ab initio} is proposed and applied to trivalent rare earth impurities in yttrium aluminate and to Tb$^{3+}$ ion in TbAlO$_3$. To determine crystal field parameters local Hamiltonian…
A microscopic method for calculating nuclear level densities (NLD) is developed, based on the framework of energy density functionals. Intrinsic level densities are computed from single-quasiparticle spectra obtained in a finite-temperature…
We suggest a two-dimensional wavelet devised to deduce the large-scale structure of a physical field (e.g., the Galactic magnetic field) from its integrals along straight paths from irregularly spaced data points to a fixed interior point…
Maximally localized Wannier functions (MLWFs) based on Kohn-Sham band-structures provide a systematic way to construct realistic, materials specific tight-binding models for further theoretical analysis. Here, we construct MLWFs for the Mn…
We report an approach for determination of zero-field splitting parameters from four-component relativistic calculations. Our approach involves neither perturbative treatment of spin-orbit interaction nor truncation of the spin-orbit…