Related papers: Multi-valley envelope function equations and effec…
We investigate hyper-doping, a promising approach to introduce a high concentration of impurities into silicon beyond its solid solubility limit, for its potential applications in near-infrared plasmonics. We systematically explore the…
The determination of spectral properties from first principles can provide powerful connections between microscopic theoretical predictions and experimental data, but requires complex electronic-structure formulations that fall outside the…
Radial phase shifts ($\delta(r)$), amplitude functions ($A(r)$), and exact wavefunctions ($u(r)$) for various uncoupled S, P, and D channels of neutron--proton scattering have been calculated using the Phase Function Method (PFM). In these…
In the study of model electronic device systems where electrons are typically under confinement, a key obstacle is the need to iteratively solve the coupled Schr\"{o}dinger-Poisson (SP) equation. It is possible to bypass this obstacle by…
The triumph of effective mass theory in describing the energy spectrum of dopants does not guarantee that the model wavefunctions will withstand an experimental test. Such wavefunctions have recently been probed by scanning tunneling…
In this study, we demonstrate coherent optical excitation of the electronic Raman transition between the $1s\left(A_1\right)$ and $1s\left(E\right)$ split states of phosphorus donor in crystalline silicon. The dynamics of the generated…
We describe the implementation of total angular momentum dependent pseudopotentials in a plane wave formulation of density functional theory. Our approach thus goes beyond the scalar-relativistic approximation usually made in ab initio…
We report on the valley blockade and the multielectron Kondo effect generated by an impurity atom in a silicon nano field effect device. According to the spin-valley nature of tunnelling processes, and consistently with those allowed by the…
In this work, we use pump-probe Kelvin Probe Force Microscopy (pp-KPFM) to investigate light-induced surface potential dynamics in alumina-passivated crystalline silicon, and in an organic bulk heterojunction thin film based on the…
Electrons confined in Si quantum dots possess orbital, spin, and valley degrees of freedom (d.o.f.). We perform Landau-Zener-Stuckelberg-Majorana (LZSM) interferometry on a Si double quantum dot that is strongly coupled to a microwave…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
The new scheme of the energy measurement of the extremely high energy electron beam with the inverse Compton scattering between electrons and microwave photons requires the precise calculation of the interaction cross section of electrons…
A many-body wave function can be factorized in Fock space into a marginal amplitude describing a set of strongly correlated orbitals and a conditional amplitude for the remaining weakly correlated part. The marginal amplitude is the…
For certain correlated electron-photon systems we construct the exact density-to-potential maps, which are the basic ingredients of a density-functional reformulation of coupled matter-photon problems. We do so for numerically exactly…
We demonstrate coherent control of donor wavefunctions in phosphorous-doped silicon. Our experiments take advantage of a free electron laser to stimulate and observe photon echoes from, and Rabi oscillations between the ground and first…
We present a self-consistent analytic theory of the intra-layer and inter-layer pair correlation functions in electron-electron and electron-hole fluid bilayer systems. Our approach involves the solution of a zero-energy scattering…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…
This is a follow-up of our recently proposed work on pseudopotential calculation (Ref. [21]) of atoms and molecules within DFT framework, using cartesian coordinate grid. Detailed results are presented to demonstrate the usefulness,…
Hole spins in semiconductor quantum dots or bound to acceptor impurities show promise as potential qubits, partly because of their weak and anisotropic hyperfine couplings to proximal nuclear spins. Since the hyperfine coupling is weak, it…