Related papers: Analytical approach for type-II semiconductor sphe…
Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challenging, quantum computing offers a promising alternative.…
We use density functional theory to calculate the electronic band structures, cohesive energies, phonon dispersions, and optical absorption spectra of two-dimensional In$_2$X$_2$ crystals, where X is S, Se, or Te. We identify two…
We extend our ensemble density functional approach to quantum Hall systems to include non-collinear spins to study charge-spin textures in inhomogeneous quantum Hall systems. We have studied the edge reconstruction in quantum dots at unit…
The simplest approach to deal with light excitations in direct-gap semiconductors is to model them as a two-band system: one conduction and one valence band. For such models, particularly simple analytical expressions are known to exist for…
A wide range of electrochemical reactions of practical importance occur at the interface between a semiconductor and an electrolyte. We present an embedded density-functional theory method using the recently released self-consistent…
This paper presents a six-band k.p theory for wurtzite semiconductor nanostructures with cylindrical symmetry. Our work extends the formulation of Vahala and Sercel [Physical Review Letters 65, 239 (1990)] to the Rashba-Sheka-Pikus…
Epitaxially-grown semiconductor heterostructures give the possibility to tailor the potential landscape for the carriers in a very controlled way. In planar lattice-matched heterostructures, the potential has indeed a very simple and easily…
The existence of macroscopic shell structure of submicron metal clusters is known for several decades. Since the most studies provide theoretical analysis for clusters of spherical shape, the electron density inhomogeneities caused by shell…
In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk…
Issues of Ge hut cluster nucleation and growth at low temperatures on the Ge/Si(001) wetting layer are discussed on the basis of explorations performed by high resolution STM and in-situ RHEED. Data of HRTEM investigations of Ge/Si…
A complex InAs/CdSe/ZnSe Core/Shell1/Shell2 (CSS) structure is synthesized, where the intermediate CdSe buffer layer decreases strain between the InAs core and the ZnSe outer shell. This structure leads to significantly improved…
Two-dimensional (2D) InSe and WS$_2$ exhibit promising characteristics for optoelectronic and photoelectrochemical applications, e.g. photodetection and photocatalytic water splitting. However, both of them have poor absorption of visible…
Quantum size effects for an exciton attached to a spherical quantum dot are calculated by a variational approach. The band line-ups are assumed to be type-II with finite offsets. The dependence of the exciton binding energy upon the dot…
We present an $sp^3$ tight-binding model for the calculation of the electronic and optical properties of wurtzite semiconductor quantum dots (QDs). The tight-binding model takes into account strain, piezoelectricity, spin-orbit coupling and…
We develop an approach to design, engineer, and measure band structures in a synthetic crystal composed of electric circuit elements. Starting from the nodal analysis of a circuit lattice in terms of currents and voltages, our Laplacian…
Atomic-scale variations in semiconductor heterostructures, arising from strain, interfaces, and compositional modulation, strongly influence electronic band dispersion but remain difficult to probe and compare using first-principles methods…
The excitation of semiconductor quantum dots often involves an attached wetting layer with delocalized single-particle energy eigenstates. These wetting-layer states are usually approximated by (orthogonalized) plane waves. We show that…
Generalized electrostatic quantum swap gate implemented in the chain of 2 double coupled quantum dots using single electron in semiconductor is presented in tight-binding simplistic model specifying both analytic and numerical results. The…
Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…
We explore CdTe fractional monolayer quantum dots (QDs) in a ZnCdSe host matrix for potential application in an intermediate band solar cell device. Careful consideration has been taken during the initiation of the growth process of QDs by…