Related papers: Donor Wavefunctions in Si Gauged by STM Images
Atomic-scale understanding of phosphorous donor wave functions underpins the design and optimisation of silicon based quantum devices. The accuracy of large-scale theoretical methods to compute donor wave functions is dependent on…
Due to strong spin-orbit coupling, charge carriers in three-dimensional quadratic band touching Luttinger semimetals have non-trivial wavefunctions characterized by a pseudospin of 3/2. We compute the dielectric permittivity of such…
We employ density functional theory to calculate the self consistent electronic structure, free energy and linear source-drain conductance of a lateral semiconductor quantum dot patterned via surface gates on the 2DEG formed at the…
The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms with characteristic asymptotically-diffused electron…
I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional K$_2$Cr$_3$As$_3$ using density functional theory based first principles calculations. The phonon dispersions show stable phonons without…
This work presents an alternative, general, and in-principle exact extension of electronic Kohn-Sham density functional theory (KS-DFT) to the fully quantum-mechanical molecular problem. Unlike in existing multi-component or…
We investigate the impact on the properties of high-energy emitting BL Lac objects of a population of electrons with an anisotropic momentum distribution. We adopt a simple phenomenological description of the anisotropy, in which the most…
Motivated by current interest in strongly correlated quasi-one-dimensional (1D) Luttinger liquids subject to axial confinement, we present a novel density-functional study of few-electron systems confined by power-low external potentials…
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…
The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge density wave state is induced through…
Coherent electron transport through a quantum channel in the presence of a general extended scattering potential is investigated using a T-matrix Lippmann-Schwinger approach. The formalism is applied to a quantum wire with Gaussian type…
The article discusses the correctness of the assumption about the similarity of molecular continuum electron functions with wave functions in electron-atom scattering. The elastic scattering of slow particles by pair of non-overlapping…
The idealized theory of quantum vacuum energy density is a beautiful application of the spectral theory of differential operators with boundary conditions, but its conclusions are physically unacceptable. A more plausible model of a…
We present an all-electron calculation of the hyperfine parameters for conduction electrons in Si, showing that: (i) all parameters scale linearly with the spin density at a $^{29}$Si site; (ii) the isotropic term is over 30 times larger…
We present the first scanning tunneling microscopy (STM) images of hydrogenic acceptor wave functions in silicon. These acceptor states appear as square ring-like features in STM images and originate from near-surface defects introduced by…
Donors in silicon are now demonstrated as one of the leading candidates for implementing qubits and quantum information processing. Single qubit operations, measurements and long coherence times are firmly established, but progress on…
We perform density functional theory calculations on a series of armchair and zigzag nanotubes of diameters less than 1nm using the all-electron Full-Potential(-Linearised)-Augmented-Plane-Wave (FPLAPW) method. Emphasis is laid on the…
We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a deformed crystal back to geometrically undeformed structure…
The recent experiments revealed a remarkable possibility for the absence of the disparity between the phase diagrams of the electron- and hole-doped cuprate superconductors, while such an aspect should be also reflected in the dressing of…
The current carried by a material subject to an electric field is microscopically inhomogeneous and can be modelled using scattering theory, in which electrons undergo collisions with the microscopic objects they encounter. We herein…