相关论文: Assessing The Band Gap Problem By Improving Upon T…
We measured the magneto-reflectivity spectra (4 - 90 meV, 0 - 16 T) of the triple-point semimetal GdPtBi and found them to demonstrate two unusual broad features emerging in field. The electronic bands of GdPtBi are expected to experience…
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…
We compute quasinormal modes of test fields around spherically symmetric black holes with a global monopole in bumblebee gravity. The frequency of oscillation and the damping rate exhibit significant decreasing as the global monopole…
A tight binding model is used to calculate the band structure of bilayer graphene in the presence of a potential difference between the layers that opens a gap $\Delta$ between the conduction and valence bands. In particular, a self…
We report a new model for highly mismatched semiconductor (HMS) alloys. Based on the Anderson impurity Hamiltonian, the model generalizes the recent band anti-crossing (BAC) model, which successfully explains the band bowing in highly…
We show that electron-hole correlation can be used to tune interband and intraband optical transition rates in semiconductor nanostructures with at least one weakly confined direction. The valence-to-conduction band transition rate can be…
The nonlinear dynamics of a quasi-1D BEC loaded in a double-well potential is studied. The beyond mean-field corrections to the energy in the form of the Lee-Huang-Yang term are taken into account. One-dimensional geometry is considered.…
It is known that the spectrum of quasi-normal modes of potential barriers is related to the spectrum of bound states of the corresponding potential wells. This property has been widely used to compute black hole quasi-normal modes, but it…
The notion of a band gap is ubiquitous in the characterization of matter. Particularly interesting are pseudo-gaps, which are enigmatic regions of very low density of states that have been linked to novel phenomena like high temperature…
Consistency between the exchange-correlation (xc) functional used during pseudopotential construction and planewave-based electronic structure calculations is important for an accurate and reliable description of the structure and…
In the search for an accurate and computationally efficient approximation to the exact exchange potential of Kohn-Sham density functional theory, we recently compared various semilocal exchange potentials to the exact one [F. Tran et al.,…
The apparent gap between the measured and the expected value for the semileptonic branching ratio of $B$ mesons has become more serious over the last year. This is due to the improved quality of the data and to the increasing maturity of…
We report results of numerical and analytical studies of the spontaneous symmetry breaking in solitons, both two- and one-dimensional, which are trapped in H-shaped potential profiles, built of two parallel potential troughs linked by a…
The energy bandgap is an intrinsic character of semiconductors, which largely determines their properties. The ability to continuously and reversibly tune the bandgap of a single device during real time operation is of great importance not…
The conductance of bulk metal--insulator--metal junctions is evaluated by the Landauer formula using an \textit{ab initio} electronic structure calculated using a plane-waves basis set within density-functional theory (DFT) and beyond,…
We consider a two-component Bose-Einstein condensate in a quasi-one-dimensional harmonic trap, where the immiscible components are pressed against each other by an external magnetic force. The zero-temperature non-stationary…
We study the two-body problem for two-dimensional electron systems in a symmetrized Bernevig-Hughes-Zhang model which is widely used to describe topological and conventional insulators. The main result is that two interacting electrons can…
Due to several attractive features, the meta-generalized-gradient approximations (meta-GGAs) are considered to be the most advanced and potentially accurate semilocal exchange-correlation functionals in the rungs of the Jacob's ladder of…
A derivation of the t-J model of a highly-correlated solid is given starting from the general many-electron Hamiltonian with account of the non-orthogonality of atomic wave functions. Asymmetry of the Hubbard subbands (i.e. of ``electron''…
Improving electronic structure calculations for practical and technologically-important materials has been a never-ending pursue. This is especially true for transition and post-transition metal oxides for which the current first-principles…