Related papers: Valence-band effective-potential evolution for cou…
We propose an effective lattice Hamiltonian for monolayer MoS$_2$ in order to describe the low-energy band structure and investigate the effect of perpendicular electric and magnetic fields on its electronic structure. We derive a…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
Lead-halide perovskite (LHP) semiconductors are emergent optoelectronic materials with outstanding transport properties which are not yet fully understood. We find signatures of large polaron formation in the electronic structure of the…
We discuss the feasibility of the embedded cluster approach for it ab-initio calculations of charge exchange between ions and a LiF surface. We show that the discrete density of valence states in embedded clusters converges towards the…
We theoretically explore the electronic structure of holes in cylindrical Germanium/Silicon core/shell nanowires using a perturbation theory approach. The approach yields a set of interpretable and transferable effective low-energy models…
Transport properties of holes in InP nanowires were calculated considering electron-phonon interaction via deformation potentials, the effect of temperature and strain fields. Using molecular dynamics, we simulate nanowire structures,…
We present a microscopic theory of the magnetic field induced mixing of heavy-hole states +/- 3/2 in GaAs droplet dots grown on (111)A substrates. The proposed theoretical model takes into account the striking dot shape with trigonal…
Two-dimensional (2D) semiconductors show great potential to sustain Moore's law in the era of ultra-scaled electronics. However, their scalable applications are severely constrained by low hole mobility. In this work, we take 2D-GaAs as a…
An asymptotic corrected exchange hole potential analogous to Becke-Roussel [A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989)] is constructed by modeling the exchange hole using the generalized coordinate transformation based on…
We consider a semiconductor quantum-well placed in a wave guide microcavity and interacting with the broadband squeezed vacuum radiation, which fills one mode of the wave guide with a large average occupation. The wave guide modifies the…
An equation of motion phonon method, developed for even nuclei and recently extended to odd systems with a valence particle, is formulated in the hole-phonon coupling scheme and applied to A=15 and A=21 isobars with a valence hole. The…
A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was used to determine the accurate band gap edge. All ab initio…
We study the dielectric function of the homogeneous semiconductor hole liquid of p-doped bulk III-V zinc-blende semiconductors within random phase approximation. The single-particle physics of the hole system is modeled by Luttinger's…
Recent experiments have revealed the tantalizing possibility of fabricating lattice electronic systems strongly coupled to quantum fluctuations of electromagnetic fields, e.g., by means of geometry confinement from a cavity or artificial…
Intervalley mixing between conduction-band states in low-dimensional Si/SiGe heterostructures induces splitting between nominally degenerate energy levels. The symmetric double-valley effective mass approximation and the empirical…
The effective Hamiltonian of strongly correlated electrons on a square lattice is replaced by a renormalised Hamiltonian and the factors that renormalise the kinetic energy of holes and the Heisenberg spin-spin coupling are calculated using…
Loss of unitarity in an effective field theory is often cured by the appearance of dynamical resonances, revealing the presence of new degrees of freedom. These resonances may manifest themselves when suitable unitarization techniques are…
Quantum materials constitute a novel category of substances wherein quantum effects and electron-electron (e-e) interactions give rise to unforeseen phenomena on a macroscopic scale. Of particular interest within the realm of quantum…
The band alignment of semiconductor-metal interfaces plays a vital role in modern electronics, but remains difficult to predict theoretically and measure experimentally. For interfaces with strong band bending a main difficulty originates…
In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In many of these materials, such as the canonical example of…