Related papers: Effect of Exchange-Correlation Functionals on Scho…
We consider an extended trimer Su-Schrieffer-Heeger (SSH) tight-binding Hamiltonian keeping up to next-nearest-neighbor (NNN) hopping terms and on-site potential energy. The Bloch Hamiltonian can be expressed in terms of all the eight…
We present a comprehensive study of the electronic structure of the layered semiconductor InSe using density functional theory. We calculate the band structure of the monolayer and bulk material with the band gap corrected using hybrid…
For electronic and photoelectronic devices based on GeSe, an emergent two dimensional monochalcogenide with many exciting properties predicted, good electrical contacts are of great importance for achieving high device performances and…
Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a…
To quantitatively characterize height distributions (HDs), one uses adimensional ratios of their first central moments ($m_n$) or cumulants ($\kappa_n$), especially the skewness $S$ and kurtosis $K$, whose accurate estimate demands an…
We discuss the computation of holographic entanglement entropy for interface conformal field theories. The fact that globally well defined Fefferman-Graham coordinates are difficult to construct makes the regularization of the holographic…
We demonstrate that the physical mechanism behind electroresistive switching in oxide Schottky systems is electroformation, as in insulating oxides. Negative resistance shown by the hysteretic current-voltage curves proves that impact…
Fission excitation functions have been measured for a chain of neighboring compound nuclei, from 207Po to 212Po. We present a new analysis which provides a determination of the fission barriers and ground state shell effects with nearly…
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the…
Schottky photodetectors are attractive for CMOS-compatible photonic integrated circuits, but the trade-off between photon absorption and hot carrier emission often compromises the detection fidelity and sensitivity. Here, we report a…
We study the physical properties of a half-metallic ferromagnet$\mid$superconductor (HM$\mid$S) bilayer, allowing for an arbitrary bulk pairing symmetry of the superconductor and spin-dependent processes at the interface. In particular, we…
The development of thermoelectric devices faces not only the challenge of optimizing the Seebeck coefficient, the electrical and thermal conductivity of the active material, but also further bottlenecks when going from the thermoelectric…
Interference alignment (IA) is known to significantly increase sum-throughput at high SNR in the presence of multiple interfering nodes, however, the reliability of IA is little known, which is the subject of this paper. We study the error…
Examination of high-resolution, experimental fusion excitation functions for $^{16,17,18}$O + $^{12}$C reveals a remarkable irregular behavior that is rooted in the structure of both the colliding nuclei and the quasi-molecular composite…
We have observed temperature-dependent reversal of the rectifying polarity in Au/Nb:SrTiO3 Schottky junctions. By simulating current-voltage characteristics we have found that the permittivity of SrTiO3 near the interface exhibits…
The influence on the fusion process of coupling to collective degrees of freedom has been explored. The significant enhancement of the fusion cross section at sub-barrier energies was compared to predictions of one-dimensional barrier…
In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like structures. Besides the Schottky barrier height, the transfer…
We investigate theoretically electrical spin injection at a Schottky contact between a spin-polarized electrode and a non-magnetic semiconductor. Current and electron density spin-polarizations are discussed as functions of barrier energy…
We present a computationally efficient transferable single-band tight-binding model (SBTB) for spin polarized transport in heterostructures with an effort to capture the band structure effects. As an example, we apply it to study transport…
An unbounded one-dimensional solid-on-solid model with integer heights is studied. Unbounded here means that there is no a priori restrictions on the discret e gradient of the interface. The interaction Hamiltonian of the interface is given…