Related papers: Tight Binding Parametrization of Few-layer Black P…
With the help of a tight-binding (TB) electronic-structure toy model we investigate the matching of parameters across hetero-interfaces . We demonstrate that the virtual crystal approximation, commonly employed for this purpose, may not…
Signatures of nodal line/point superconductivity have been observed in half-Heusler compounds, such as LnPtBi (Ln = Y, Lu). Topologically non-trivial band structures, as well as topological surface states, has also been confirmed by…
A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots. As a minimal basis set we assume one s-orbital and three…
Photonic lanterns rely on a close packed arrangement of single mode fibers, which are tapered and fused into one multi-mode core. Topologically optimal circle packing arrangements have been well studied. Using this, we fabricate PLs with 19…
This paper presents a numerical implementation of a first-principles envelope-function theory derived recently by the author [B. A. Foreman, Phys. Rev. B 72, 165345 (2005)]. The examples studied deal with the valence subband structure of…
Tight binding (TB) models are one approach to the quantum mechanical many particle problem. An important role in TB models is played by hopping and overlap matrix elements between the orbitals on two atoms, which of course depend on the…
One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…
The Strongly Coupled Standard Model predicts a rich spectrum of excited states at the Fermi scale. We study the first radial excitations of the vector bosons. The inclusion of these new states affects the low energy phenomenology of the…
Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other properties, such as the free energy, especially high-frequency…
Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more…
We present a method for calculating large numbers of power spectra C_l and P(k) that accelerates CMBfast by a factor around 10^3 without appreciable loss of accuracy, then apply it to constrain 11 cosmological parameters from current Cosmic…
The predictions of parameteric property models and their uncertainties are sensitive to systematic errors such as inconsistent reference data, parametric model assumptions, or inadequate computational methods. Here, we discuss the…
We study theoretically the structural and electronic response of layered bulk black phosphorus to in-layer strain. Ab initio density functional theory (DFT) calculations reveal that the strain energy and interlayer spacing display a strong…
Inspiraling supermassive black hole binary systems with high orbital eccentricity are important sources for space-based gravitational wave (GW) observatories like the Laser Interferometer Space Antenna (LISA). Eccentricity adds orbital…
We introduce and classify nonequivalent commensurate stackings for bilayer dice or $\mathcal{T}_3$ lattice. For each of the four stackings with vertical alignment of sites in two layers, a tight-binding model and an effective model…
Bosonization provides a powerful analytical framework to deal with one-dimensional strongly interacting fermion systems, which makes it a cornerstone in quantum many-body theory. Yet, this success comes at the expense of using effective…
By using band structure calculations of quantum mechanical theory, some important peaks of DoS (Density of States) were obtained and classified based on crystal structure laws of cuprate superconductivity. In particular, the orbital…
Marginalizing over roughly 12 effective-field-theory (EFT) nuisance parameters per tracer per redshift bin is a dominant systematic cost in full-shape galaxy power spectrum analyses. Simulation-based priors (SBP) tighten these parameters…
Two-dimensional materials with strong bandstructure anisotropy such as black phosphorus BP have been identified as attractive candidates for logic application due to their potential high carrier velocity and large density-of-states.…
We propose an extension to other high T_{c } compounds of a model introduced earlier for YBCO. In the ''self-doped'' compounds we assume that the doping part (namely the BiO, HgO, TlO planes in BSCCO, HBCCO, TBCCO respectively) is metallic,…