相关论文: Core-hole excitations using the projector augmente…

Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete basis set (CBS) limit in methods utilising plane-wave wavefunction expansions. Simple…

We demonstrate a multi-photon excitation (MPE) scheme for luminescence thermometry using ScVO$_4$:Bi$^{3+}$. MPE is performed using a 37 fs Ti:Sapphire laser pulse centred at 800 nm. Log-log plots of the phosphorescence intensity versus…

Comparison of periodic B dopants with a random alloy of substitional boron in diamond is carried out using several supercells and the coherent potential approximation (CPA) for the random alloy case. The main peak in the B local density of…

The Atom-Calibrated Basis-set Extrapolation (ACBE) method is introduced as a robust approach for extrapolating MP2 correlation energies from small basis sets. Unlike conventional extrapolation techniques, ACBE incorporates system- and…

We present the metamorphosis in the effective-potential profile of layered heterostructures, for several III-V semiconductor binary compounds, when the band mixing of light and heavy holes increases. A root-locus-like procedure, is directly…

We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…

Recent experiments revealed a striking asymmetry in the phase diagram of the high temperature cuprate superconductors. The correlation effect seems strong in the hole-doped systems and weak in the electron-doped systems. On the other hand,…

The many-body expansion (MBE) is an efficient tool which has a long history of use for calculating interaction energies, binding energies, lattice energies, and so on. In the past, applications of MBE to correlation energy have been…

Scanning tunneling spectroscopies in the subKelvin temperature range were performed on superconducting Silicon epilayers doped with Boron in the atomic percent range. The resulting local differential conductance behaved as expected for a…

Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as transition metal dichalcogenides moir\'e heterostructures under…

We apply quantum continuum mechanics to the calculation of the excitation spectrum of a coupled electron-hole bilayer. The theory expresses excitation energies in terms of ground-state intra- and inter-layer pair correlation functions,…

Coupled two-dimensional electron-hole bilayers provide a unique platform to study strongly correlated Bose-Fermi mixtures in condensed matter. Electrons and holes in spatially separated layers can bind to form interlayer excitons, composite…

The problem of calculating of the mass spectrum of the two-body Bethe-Salpeter equation is studied with no reduction to the three-dimensional ("quasipotential") equation. The method to find the ground state and excited states for a channel…

We present a highly efficient method for the extraction of optical properties of very large molecules via the Bethe-Salpeter equation. The crutch of this approach is the calculation of the action of the effective Coulombic interaction, $W$,…

We study high-density electron-hole (e-h) systems with the electron density slightly larger than the hole density. We find a new superconducting phase, in which the excess electrons form Cooper pairs moving in an e-h BCS phase. The…

We report quantum efficiency (QE) enhancements in accelerator technology relevant antimonide photocathodes (K2CsSb) by interfacing them with atomically thin two-dimensional (2D) crystal layers. The enhancement occurs in a reflection mode,…

The band calculation scheme for $f$ electron compounds is developed on the basis of the dynamical mean field theory (DMFT) and the LMTO method. The auxiliary impurity problem is solved by a method named as NCA$f^{2}$v', which includes the…

This paper presents a numerical study of the acoustic superradiance from the single vortex state of a Bose-Einstein condensate (BEC). The draining bathtub model of an incompressible barotropic fluid is adopted to describe the vortex. The…

Transient extreme ultraviolet (XUV) spectroscopy probes core level transitions to unoccupied valence and conduction band states. Uncertainty remains to what degree the core-hole created by the XUV transition modifies the measurement of…

The three-band model relevant to high temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per…