Related papers: Improved quasiparticle self-consistent electronic …
The quasi-particle band structure and dielectric function for the so-called magic sequence SiGe$_2$Si$_2$Ge$_2$SiGe$_{12}$ (or $\alpha_{12}$) structure [PRL 108, 027401 (2012)] are calculated by many-body perturbation theory (MBPT) within…
The electronic energy band spectra of the alkali metal chalcogenides M$_2$A (M: Li, Na, K, Rb; A: O, S, Se, Te) have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The Kohn-Sham…
We performed first-principles density functional theory (DFT) and GW calculations to investigate electronic structures of bulk and few-layer PdSe2. We obtained the quasiparticle band structure of bulk PdSe2, and the obtained energy gap…
We have recently implemented a new version of the quasiparticle self-consistent GW (QSGW) method in the ecalj package released at http://github.com/tkotani/ecalj. Since the new version of the ecalj is numerically stable and accurate…
We present a method to calculate the exciton spectra of all direct semiconductors with a complex valence band structure. The Schr\"odinger equation is solved using a complete basis set with Coulomb Sturmian functions. This method also…
We present ab initio quasiparticle self-energy calculations in crystalline GaAs for cases of intense electronic excitation (~ 10% of valence electrons excited into conduction band), relevant for high-intensity ultra-short pulsed laser…
Bounded excitons in transition metal dichalcogenides monolayers lead to numerous opto-electronic applications, which require a detailed understanding of the exciton dynamics. The dynamical properties of excitons with finite momentum…
Shift current transient are obtained for near band gap excitation of bulk GaAs by numerical solutions of the semiconductor Bloch equations in a basis obtained from a 14 band k.p model of the band structure. This approach provides a…
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…
We have studied the electronic structure of InN and GaN employing G0W0 calculations based on exact-exchange density-functional theory. For InN our approach predicts a gap of 0.7 eV. Taking the Burnstein-Moss effect into account, the…
Wannier-Mott excitons in a semiconductor layered superlattice (SL) of period much smaller than the 2D exciton Bohr radius in the presence of a longitudinal external dc electric field directed parallel to the SL axis are investigated…
We present theoretical results of the calculations of optical functions for Cu$_2$O quantum well (QW) with Rydberg excitons in an external homogeneous electric field of an arbitrary field strength. Two configurations of an external electric…
Rutile GeO$_2$ is a visible and near-ultraviolet-transparent oxide that has not been explored for semiconducting applications in electronic and optoelectronic devices. We investigate the electronic and optical properties of rutile GeO$_2$…
We formulated an effective theory for a single interlayer exciton in a bilayer quantum antiferromagnet, in the limit that the holon and doublon are strongly bound onto one interlayer rung by the Coulomb force. Upon using a rung linear spin…
We investigate the dynamical self-energy corrections of the electron-hole plasma due to electron-electron and electron-phonon interactions at the band edges of a quasi-one dimensional (1D) photoexcited electron-hole plasma. The…
Using quasiparticle self-consistent $GW$ calculations we examined the electronic structure of LaNiO$_3$ and the LaNiO$_3$/LaAlO$_3$ superlattice. The effects of electron correlation in Ni-$d$ bands were reasonably well described without any…
We calculate the electronic structure for a modulation doped and gated T-shaped quantum wire using density functional theory. We calculate the bandgap renormalization as a function of the density of conduction band electrons, induced by the…
Theory of exciton fine structure in semiconductor quantum dots and its dependence on quantum dot anisotropy and external lateral electric field is presented. The effective exciton Hamiltonian including long range electron-hole exchange…
Using Scanning Tunneling Microscopy and Spectroscopy, we probe the electronic structures of single layer ${\small MoS_2}$ on graphite. We show that the quasiparticle energy gap of single layer ${\small MoS_2}$ is 2.15 $\pm$ 0.07 eV at 77 K.…
Metal monochalcogenide GaSe is a classic layered semiconductor that has received increasing research interest due to its highly tunable electronic and optical properties for ultrathin electronics applications. Despite intense research…