Related papers: Band Structure Engineering in Highly Crystalline O…
Monolayer semiconductors, given their thickness at the atomic scale, present unique electrostatic environments due to the sharp interfaces between the semiconductor film and surrounding materials. These interfaces significantly impact both…
It is quite important to enhance and control the optomechanically induced high-order sideband generation to achieve low-power optical comb and high-sensitivity sensing with an integratable structure. Here we present and analyze a proposal…
There is compelling evidence that charge carriers in organic semiconductors (OSs) self-localize in nano-scale space because of dynamic disorder. Yet, some OSs, in particular recently emerged high-mobility organic molecular crystals, feature…
Spontaneous orientation polarization (SOP) occurs when molecules with a finite permanent dipole moment are grown as thin films by physical vapor deposition and their alignment is such that a net non-zero polarization remains. We discuss how…
Disorder in high entropy alloys, arising from the random distribution of multiple elements, plays a crucial role in their novel properties desirable for various advanced engineering applications. We investigate the role of compositional and…
We investigate the generation and engineering of photonic band gaps in waveguide quantum electrodynamics systems containing periodically arranged atom-polymers. We first consider the configuration of a dimer array coupled to a waveguide.…
Semiclassical dynamics of Bloch electrons in a crystal under slowly varying deformation is developed in the geometric language of a lattice bundle. Berry curvatures and gradients of energy are introduced in terms of lattice covariant…
The conjunction of atom-cavity physics and photonic structures (``solid light'' systems) offers new opportunities in terms of more device functionality and the probing of designed emulators of condensed matter systems. By analogy to the…
In Mott materials strong electron correlation yields a spectrum of complex electronic structures. Recent synthesis advancements open realistic opportunities for harnessing Mott physics to design transformative devices. However, a major…
The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals…
Orbital degrees of freedom can have pronounced effects on the fundamental properties of electrons in solids. In addition to influencing bandwidths, gaps, correlation strength and dispersion, orbital effects have also been implicated in…
Over the past decade, ultrafast electron dynamics in the solid state have been extensively studied using various strong light-matter interaction techniques, such as high-harmonic generation. These studies lead to multiple interpretations of…
Bloch theory describes the electronic states in crystals whose energies are distributed as bands over the Brillouin zone. The electronic states corresponding to a (few) isolated energy band(s) thus constitute a vector bundle. The…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's translational symmetry. In this work, we present an efficient…
The effects of random distribution of magnetic impurities with concentration $x$ in a semiconductor alloy multilayer at a paramagnetic temperature are investigated by means of coherent potential approximation and tight-binding model. The…
We report first-principles results on the electronic structure of various silicene structures. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their Fermi velocity by…
By comparing photoemission spectroscopy with a non-perturbative dynamical mean field theory extension to many-body ab initio calculations, we show in the prominent case of pentacene crystals that an excellent agreement with experiment for…
The electronic structure of crystalline CdTe, CdO, $\alpha$-TeO$_2$, CdTeO$_3$ and Cd$_3$TeO$_6$ is studied by means of first principles calculations. The band structure, total and partial density of states, and charge densities are…
High-harmonic generation by a laser-driven solid slab is simulated using time-dependent density functional theory. Multiple harmonic plateaus up to very high harmonic orders are observed already at surprisingly low field strengths. The full…