Related papers: Ab Initio calculation of band gap renormalization …
We investigate a highly-nonlocal generalization of the Lindhard function, given by the jellium-with-gap model. We find a band-gap-dependent gradient expansion of the kinetic energy, which performs noticeably well for large atoms. Using the…
Laser pulses of extreme intensities ($I>10^{22}~ \mathrm{W/cm^2}$) are about to become available in the laboratory. The prepulse of such a laser can induce a plasma expansion that generates a low-density channel in near-critical gas jets.…
Recently, attention has been given to a system of He$^3$ bi-layers where a quantum criticality similar to the one in heavy fermion compounds has been observed [Science 317, 1356 92007)] In our previous analysis [Phys. Rev. B 79, 045112…
Excited band structures recently observed in $^{156}$Dy are investigated using the microscopic triaxial projected shell model (TPSM) approach and the quasiparticle random phase approximation (QRPA) based on the rotating mean-field. It is…
We use an all-electron implementation of the GW approximation to analyze several possible sources of error in the theory and its implementation. Among these are convergence in the polarization and Green's functions, the dependence of QP…
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 present a general formula of the orbital magnetization of disordered systems based on the Keldysh Green's function theory in the gauge-covariant Wigner space. In our approach, the gauge invariance of physical quantities is ensured from…
The optical response functions and band structures of LiCoO$_2$ are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient approximation (GGA) to quasiparticle self-consistent QS$GW$…
Ionizing radiation impacts create bursts of quasiparticle density in superconducting qubits. These bursts temporarily degrade qubit coherence which can be detrimental for quantum error correction. Here, we experimentally resolve…
We study the gate voltage induced gap that occurs in graphene bilayers using \textit{ab initio} density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We…
We report on the experimental study of the spectrum of plasma excitations in a plasmonic crystal fabricated from the two-dimensional electron system in an AlGaAs/GaAs semiconductor heterostructure. We perform a comprehensive research on the…
We investigate the spatial statistics of the energy eigenfunctions on large quantum graphs. It has previously been conjectured that these should be described by a Gaussian Random Wave Model, by analogy with quantum chaotic systems, for…
Excited electronic states of molecules and solids play a fundamental role in fields such as catalysis and electronics. In electronic structure calculations, excited states typically correspond to saddle points on the surface described by…
\ni We develop a simple method to study the zero-point and thermally renormalized electron energy $\varepsilon_{\mathbf{k}n}(T)$ for $\mathbf{k}n$ the conduction band minimum or valence maximum in polar semiconductors. We use the adiabatic…
The electronic band gap of a two-dimensional semiconductor within a device architecture is sensitive to variations in screening properties of adjacent materials in the device and to gate-controlled doping. Here, we employ micro-focused…
In this paper we develop a gapless theory of BEC which can be applied to both trapped and homogeneous gases at zero and finite temperature. The many-body Hamiltonian for the system is written in a form which is approximately quadratic with…
Motivated by a large number of recent magnetotransport studies we have revisited the problem of the microscopic calculation of the quasiparticle effective mass in a paramagnetic two-dimensional (2D) electron liquid (EL). Our systematic…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions. We consider a model single-molecule nanojunction in the presence of two kinds of electron-vibron interactions.…
We use a recently proposed quantum electrodynamical density functional theory (QEDFT) functional in a real-time excitation calculation for a two-dimensional electron gas in a square array of quantum dots in an external constant…
The thermodynamic properties of superconducting electrons are usually studied by means of the quasi-particles distribution; but in this approach, the ground state energy and the dependence of the chemical potential on the electron density…