Related papers: On the Nature of Localization in Ti doped Si
We report a numerical analysis of Anderson localization in a model of a doped semiconductor. The model incorporates the disorder arising from the random spatial distribution of the donor impurities and takes account of the electron-electron…
Introducing an isolated intermediate band (IB) into a wide band gap semiconductor can potentially improve the optical absorption of the material beyond the Shockley-Queisser limitation for solar cells. Here, we present a systematic study of…
Motivated by the discovery of superconductivity in boron-doped (B-doped) diamond, we investigate the localization and superconductivity in heavily doped semiconductors. The competition between Anderson localization and s-wave…
Boron (B) has the potential for generating an intermediate band in cubic silicon carbide (3C-SiC), turning this material into a highly efficient absorber for single-junction solar cells. The formation of a delocalized band demands high…
Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental…
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…
Hyperdoped metastable sulfur atoms endow crystalline silicon with a strong sub-bandgap light absorption. In order to explore such metastable states, we develop a new high-throughput first-principles calculation method to search for all of…
We investigate the influence of an unoccupied band on the transport properties of a strongly correlated electron system. For that purpose, additional orbitals are coupled to a Hubbard model via hybridization. The filling is one electron per…
Topological insulators are characterized by the existence of band inversion and the possibility of the realization of surface states. Doping with a magnetic atom, which is a source of the time-reversal symmetry breaking, can lead to…
The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states and Bloch…
We study electron dynamics in a two-band delta-doped semiconductor within the envelope-function approximation. Using a simple parametrization of the confining potential arising from the ionized donors in the delta-doping layer, we are able…
We study the electron transport in a magnetically doped three dimensional topological insulator (TI) by taking the effects of impurity-impurity exchange interactions into account. The interactions between magnetic impurities give rise to…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement…
Superconductivity in a doped topological insulator (TI) is a very interesting phenomenon and constitute a new finding of the modern day condensed matter physics. Here we have investigated the physical and transport properties of such an…
The Sn/Si(111)-({\sqrt}3{\times}{\sqrt}3)R30{\deg} surface, a 2D Mott insulator, has long been predicted and then found experimetally to metallize and even turn superconducting upon boron doping. In order to clarify the structural,…
Elementary semiconductors are rare and attractive, especially for low-dimensional materials. Unfortunately, most of boron nanostructures were found to be metallic, despite of their typical semiconducting bulk structure. Herein, we propose a…
Solution-processable interlayers are an important building block for the commercialization of organic electronic devices such as organic solar cells. Here, the potential of cross-linking to provide an insoluble, stable and versatile charge…
The Mott and the Anderson routes to localization have long been recognized as the two basic processes that can drive the metal-insulator transition (MIT). Theories separately describing each of these mechanisms were discussed long ago, but…
We present a comprehensive study of the electronic, magnetic, and optical properties of CuGa$_{1-x}$Fe$_x$S$_2$, as a promising candidate for intermediate-band (IB) solar cells. We use hybrid exchange-correlation functional within the…
Doping Bi2Sr2Ca1Cu2O8+y with Co causes a superconductor-insulator transition. We study correlations between changes in the electrical resistivity RHOab(T) and the electronic bandstructure using identical single crystalline samples. For…