相关论文: A model for the dynamics and internal structure of…
Recently, it was demonstrated that electrochemical doping fronts in organic semiconductors ex- hibit a new fundamental instability growing from multidimensional perturbations [Phys. Rev. Lett. 107, 016103 (2011)]. In the instability…
We present an analytical theory for impact ionization fronts in reversely biased p^{+}-n-n^{+} structures. The front propagates into a depleted n base with a velocity that exceeds the saturated drift velocity. The front passage generates a…
The electrochemical doping transformation in organic semiconductor devices is studied in application to light-emitting cells. It is shown that the device performance can be significantly improved by utilizing new fundamental properties of…
We develop a model describing the electrochemical conversion of an organic semiconductor (specifically, the active material in a light-emitting electrochemical cell) from the undoped non-conducting state to the doped conducting state. The…
The evolution of the electronic structures of strongly correlated insulators with doping has long been a central fundamental question in condensed matter physics; it is also of great practical relevance for applications. We have studied the…
Tuning of the electronic properties of pre-synthesized colloidal semiconductor nanocrystals (NCs) by doping plays a key role in the prospect of implementing them in printed electronics devices such as transistors, and photodetectors. While…
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…
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…
We study the evolution and distribution of non-equilibrium electron spin polarization in n-type semiconductors within the two-component drift-diffusion model in an applied electric field. Propagation of spin-polarized electrons through a…
The behavior of spin diffusion in doped semiconductors is shown to be qualitatively different than in undoped (intrinsic) ones. Whereas a spin packet in an intrinsic semiconductor must be a multiple-band disturbance, involving inhomogeneous…
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…
Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…
Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid of soft-core particles. We find that solidification fronts can advance via two different…
Y-doped BaZrO$_3$ is a promising proton conductor for intermediate temperature solid oxide fuel cells. In this work, a combination of static DFT calculations and DFT based molecular dynamics (DFT-MD) was used to study proton conduction in…
In weakly coupled, current biased, doped semiconductor superlattices, domain walls may move upstream against the flow of electrons. For appropriate doping values, a domain wall separating two electric field domains moves downstream below a…
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics. However, many materials with finite band gaps are not…
We study transient dynamics of hole carriers injected at a certain time into a Mott insulator with antiferromagnetic long range order. This is termed ``dynamical hole doping" as contrast with chemical hole doping. Theoretical framework for…
The formation and field-induced switching of defect dipoles in acceptor doped lead titanate is described by a kinetic model representing an extension of the well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)]. Energy…
Lewis acids like tris(pentafluorophenyl)borane (BCF) offer promising routes for efficient $p$-doping of organic semiconductors. The intriguing experimental results achieved so far call for a deeper understanding of the underlying doping…
We investigate the electronic band structure of modulation-doped GaAs/AlGaAs core-shell nanowires for both n- and p-doping. We developed an 8-band Burt-Foreman k.p Hamiltonian approach to describe coupled conduction and valence bands in…