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Metastable defects can decisively influence the diode factor and thus the efficiency of a solar cell. The diode factor is also influenced by the doping level and the recombination mechanisms in the solar cell. Here we quantify how the…
Flexoelectricity, an electromechanical coupling between strain gradient and polarization, offers a promising dimension to enrich silicon-based devices. Although the flexoelectricity of silicon is known, some fundamental aspects remain…
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more…
A Hamiltonian H(\Gamma) applicable to cuprate HTS, with a doping dependent pairing interaction \Gamma(x) = V(x) + U(x), is linked to a Cu3d-O2p state probability model(SPM). A consequence of doping induced electron hopping, the SPM mandates…
Newly discovered Bi-O-S compounds remain an enigma in attempts to understand their electronic properties. A recent study of Bi$_{4}$O$_{4}$S$_{3}$ has shown it to be a mixture of two phases, Bi$_{2}$OS$_{2}$ and Bi$_{3}$O$_{2}$S$_{3}$, the…
Phase stabilization continues to be a critical issue in hafnium oxide (HfO$_2$) due to the interdependence of various contributing factors. Using first-principles calculations, we analyze the effects of strain and doping on stabilizing the…
Si-Ge interdiffusion with a high phosphorus doping level was investigated by both experiments and modeling. Ge/Si1-xGex/Ge multi-layer structures with 0.75<x_Ge<1 , a mid-10^18 to low-10^19 cm-3 P doping and a dislocation density of 10^8 to…
Silicon vacancy (VSi) centers in 4H silicon carbide have emerged as a highly promising platform for semiconductor-based quantum technologies, combining excellent spin and optical properties with an industrial-grade, CMOS-compatible…
Within the framework of the kinetic energy driven superconducting mechanism, the doping dependence of the electromagnetic response in the electron-doped cuprate superconductors is studied. It is shown that although there is an electron-hole…
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…
We study mechanisms of control of charge state and concentration of different point defects in doped insulating crystals. The approach is based on the density functional theory calculations. We apply it to the problem of obtaining of…
Free standing InP quantum dots have previously been theoretically and experimentally shown to have a direct band gap across a large range of experimentally accessible sizes. We demonstrate that when these dots are embedded coherently within…
The effects of doping on the spectral properties of low doped systems are investigated by means of Coherent Potential Approximation to describe the distributed disorder induced by the impurities and Phonon-Phonon Non-Crossing Approximation…
Two common difficulties in the design of topological quantum materials are that the desired features lie too far from the Fermi level and are spread over a too-large energy range. Doping-induced states at the Fermi level provide a solution,…
We study quantum states of electrons in magnetically doped quantum dots as a function of exchange coupling between electron and impurity spins, the strength of Coulomb interaction, confining potential, and the number of electrons. The…
SiGe heterostructures integrated with Si via virtual substrate (VS) growth are promising hosts for spin qubits. While VS growth targets plastic relaxation, residual cross-hatch strain inhomogeneity propagates into heterostructure…
We theoretically study the spin fluctuation and superconductivity in La1111 and Sm1111 iron-based superconductors for a wide range of electron doping. When we take into account the band structure variation by electron doping, the hole Fermi…
We demonstrate theoretically that quantum dots in bilayers of graphene can be realized. A position-dependent doping breaks the equivalence between the upper and lower layer and lifts the degeneracy of the positive and negative momentum…
We built graphene nanoflakes doped or not with $C$ atoms in the $sp^3$ hybridization or with $Si$ atoms. These nanoflakes are isolated, i.e. are not connected to any object (substrate or junction). We used a modified tight binding method to…
We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of…