Related papers: The local electronic structure of alpha-Li3N

Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…

The average shape of the Spectral Local Density of States (LDOS) and eigenfunctions (EFs) has been studied numerically for a conservative dynamical model (three-orbital Lipkin-Meshkov-Glick model) which can exhibit strong chaos in the…

In the last decade, computational studies of liquid water have mostly concentrated on ground state properties. However recent spectroscopic measurements have been used to infer the structure of water, and the interpretation of optical and…

The electromagnetic local density of states (LDOS) is crucial to many aspects of photonics engineering, from enhancing emission of photon sources to radiative heat transfer and photovoltaics. We present a framework for evaluating upper…

The interface electronic structure of correlated LaTiO$_3$/SrTiO$_3$ superlattices is investigated by means of the charge self-consistent combination of the local density approximation (LDA) to density functional theory (DFT) with dynamical…

Results of resonant inelastic X-ray scattering (RIXS) measurements at Fe L-edges and electronic structure calculations of LiFeAs and NaFeAs are presented. Both experiment and theory show that in the vicinity of the Fermi energy, the density…

We show that the local density of states (LDOS) of a wide class of tight-binding models has a weak body-order expansion. Specifically, we prove that the resulting body-order expansion for analytic observables such as the electron density or…

We study fluctuations of the local density of states (LDOS) on a tree-like lattice with large branching number $m$. The average form of the local spectral function (at given value of the random potential in the observation point) shows a…

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern electronic structure theory. It also underpins the computation…

We analytically study electronic bound states around a single vortex core in a noncentrosymmetric superconductor such as ${\rm CePt_3Si}$ without mirror symmetry about the $ab$ plane. Considering a mixed spin-singlet-triplet Cooper pairing…

For more than three decades, nearly free electron elemental metals have been a topic of debate because the computed bandwidths are significantly wider in the local density approximation to density-functional theory (DFT) than indicated by…

We have investigated electronic structures of La$_3$S$_4$ and Ce$_3$S$_4$ using the LSDA and LSDA+$U$ methods. Calculated density of states (DOS) are compared with the experimental DOS obtained by the valence band photoemission…

We analyze the local density of states (LDOS) of heterostructures consisting of alternating ferromagnet, $F$, and superconductor, $S$, layers. We consider structures of the $SFS$ and $SFSFSFS$ type, with thin nanometer scale $F$ and $S$…

We present a first-principles investigation of structural, electronic and optical properties of bulk crystalline Ag3N, AgN and AgN2 based on density functional theory (DFT) and many-body perturbation theory. The equation of state (EOS),…

Based on a simple approximation scheme we have computed the local density of states (LDOS) of the antiferromagnetic and ferromagnetic Kondo models for the full range of band occupations and coupling strengths. For both models the LDOS with…

We study electronic states of semi-infinite graphene with a corner edge, focusing on the stability of edge localized states at zero energy. The 60{\deg}, 90{\deg}, 120{\deg} and 150{\deg} corner edges are examined. The 60{\deg} and…

We present results of ab-initio calculations of the electronic band structure, lattice dynamical properties, and elastic constants of LaOFeAs, the parent compound of the recently discovered superconducting iron-oxypnictide (LaO1-xFxFeAs).…

The densities of the valence and conduction band electronic states of the newly discovered layered superconductors LaOFeAs, LaO$_{0.87}$F$_{0.13}$FeAs (Tc=26 K), SmO$_{0.95}$F$_{0.05}$FeAs and SmO$_{0.85}$F$_{0.15}$FeAs (Tc=43 K) are…

We propose in this article an unambiguous definition of the local density of electromagnetic states (LDOS) in a vacuum near an interface in an equilibrium situation at temperature $T$. We show that the LDOS depends only on the electric…

Although electronic density of states (DOS) is fundamental to materials properties, its general relationship to mechanical properties of alloys is not well established. In this paper, using density functional theory (DFT) calculations, we…