Related papers: A first principles study of As doping at a disorde…
The electronic and optical properties of the paradigmatic F4TCNQ-doped pentacene in the low-doping limit are investigated by a combination of state-of-the-art many-body \emph{ab initio} methods accounting for environmental screening…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
This paper deals with the study of the behaviour of the wave functions of a two-component Bose-Einstein condensate near the interface, in the case of strong segregation. This yields a system of two coupled ODE's for which we want to have…
Doped Si is a promising candidate for quantum computing due to its scalability properties, long spin coherence times, and the astonishing progress on Si technology and miniaturization in the last few decades. This proposal for a quantum…
A material which is an insulator entirely because of interaction effects is called a correlated insulator. Examples are trans-polyacetylene and the cuprate high temperature superconductors. Whereas doping of a band insulator results in a…
Three-dimensional doped Dirac insulators foster simply connected (in both topological and trivial regimes) and annular (deep inside the topological regime) Fermi surfaces (FSs) in the normal state, and allow on-site repulsions among…
Solute segregation at twin boundaries in Mg has been widely investigated, yet this phenomenon has not been studied at the equally important basal-prismatic interfaces. To fill this critical gap, this work investigates the segregation…
Magnetic exchange driven proximity effect at a magnetic insulator / topological insulator (MI/TI) interface provides a rich playground for novel phenomena as well as a way to realize low energy dissipation quantum devices. Here we report a…
We analyze the localized phase of a general model of a directed polymer in the proximity of an interface that separates two solvents. Each monomer unit carries a charge, $\omega_n$, that determines the type (attractive or repulsive) and the…
Dopants positioned near edges in nanostructured graphene behave differently from bulk dopants. Most notable, the amount of charge transferred to delocalized states (i.e. doping efficiency) depends on position as well as edge chirality. We…
Spin-dependent transport processes in thin near-surface doping regions created by low energy ion implantation of arsenic in silicon are detected by two methods, spin-dependent recombination (SDR) using microwave photoconductivity and…
We perform a theoretical study, using {\it ab initio} total energy density-functional calculations, of the effects of disorder on the $Mn-Mn$ exchange interactions for $Ga_{1-x}Mn_xAs$ diluted semiconductors. For a 128 atoms supercell, we…
We present a variational method to calculate the exchange interactions among donor clusters in a semiconductor. Such clusters are candidates for a so-called control-qubit architecture for quantum information, where the effective exchange…
The electron doping of undoped high-$T_c$ cuprates via the transfer of charge from manganites (or other oxides) using heterostructure geometries is here theoretically discussed. This possibility is mainly addressed via a detailed analysis…
Density functional theory is used to systematically study the electronic and magnetic properties of doped MoS$_2$ monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional…
We reconsider the phase diagram of a three-dimensional $\mathbb{Z}_2$ topological insulator in the presence of short-ranged potential disorder with the insight that non-perturbative rare states destabilize the noninteracting Dirac semimetal…
Architectures of donor-electron based qubits in silicon near an oxide interface are considered theoretically. We find that the precondition for reliable logic and read-out operations, namely the individual identification of each donor-bound…
We report on spectroscopy of a single dopant atom in silicon by resonant tunneling between source and drain of a gated nanowire etched from silicon on insulator. The electronic states of this dopant isolated in the channel appear as…
The theoretical approach proposed recently for description of redistribution of electronic charge in multilayered selectively doped systems is modified for a system with finite number of layers. A special attention is payed to the case of a…
(Al$_x$Ga$_{1{\rm -}x})_2$O$_3$ alloys are frequently used in heterostructures with monoclinic Ga$_2$O$_3$, resulting in a large conduction-band offset, which leads to charge carrier confinement, a property that is desirable for device…