Related papers: Understanding Trap States in InP and GaP Quantum D…

In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bethe-Salpeter equation (BSE) formalism to investigate…

Telecom wavelength quantum dots (QDs) are emerging as a promising solution for generating deterministic single photons compatible with existing fiber optic infrastructure. Emission in the low loss C band minimizes transmission losses,…

We report a correlative microscopy study of a sample containing three stacks of InGaN/GaN quantum dots (QDs) grown at different substrate temperature, each stack consisting of 3 layers of QDs. Decreasing the substrate temperature along the…

Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Density functional theory (DFT) exploits an independent-particle-system construction to replicate the densities and current of an interacting system. This construction is used here to access the exact effective potential and bias of…

We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…

The electrostatic gating effects on molecular transistors are investigated using the density functional theory (DFT) combined with the nonequilibrium Green's function (NEGF) method. When molecular energy levels are away from the Fermi…

We examine the properties of a quantum reflection trap when particle-interaction is included. We explore the influence of the particle-interaction on the trapping for different regimes: repulsive particle-interaction and attractive…

An oversight of several previous local density approximation (LDA) results appears to have led to an incomplete picture of the actual capability of density functional theory (DFT), with emphasis on LDA, to describe and to predict the band…

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well…

It is believed that the density functional theory (DFT) describes most elements with s, p and d orbitals very well, except some materials that having strongly localized and correlated valence electrons. In this work, we find that the widely…

Ab initio description of point defects in semiconductors, characterized by in-gap states of significant multideterminant character, presents a longstanding theoretical challenge for density functional theory (DFT) methods. In this study, we…

To increase the power of a trapped ion quantum information processor, the qubit number, gate speed, and gate fidelity must all increase. All three of these parameters are influenced by the trapping field which in turn depends on the…

A three-dimensional (3D) photonic band gap crystal is an ideal tool to completely inhibit the local density of optical states (LDOS) at every position in the crystal throughout the band gap. This notion, however, pertains to ideal infinite…

We discuss the adiabatic self-trapping of small polarons within the density functional theory (DFT). In particular, we carried out plane-wave pseudo-potential calculations of the triplet exciton in NaCl and found no energy minimum…

Extensive research into high temperature superconducting cuprates is now focused upon identifying the relationship between the classic 'pseudogap' phenomenon$^{1,2}$ and the more recently investigated density wave state$^{3-13}$. This state…

We show that a large number of ions stored in a Penning trap, and forming a 2D Coulomb crystal, provides an almost ideal system for scalable quantum computation and quantum simulation. In particular, the coupling of the internal states to…

Trapped atomic ions are a versatile platform for studying interactions between spins and bosons by coupling the internal states of the ions to their motion. Measurement of complex motional states with multiple modes is challenging, because…