Related papers: Computational Fermi level engineering and doping-t…
Bi$_2$Se$_3$ is one of the most promising topological insulators, but it suffers from intrinsic n-doping due to Se-vacancies, which shifts the Fermi level into the bulk conduction band, leading to topologically trivial carriers. Recently it…
The realization of $p$-type doping in wide-band-gap oxide semiconductors remains a major challenge, particularly in $\beta-Ga_2O_3$ where nitrogen has long been considered a potential acceptor dopant but has consistently failed to produce…
We analyze the particle-hole symmetric two-dimensional Hubbard model on a square lattice starting from weak-to-moderate couplings by means of the field-theoretical renormalization group (RG) approach up to two-loop order. This method is…
Annealing Mg-implanted homoepitaxial GaN at temperatures at or above 1400 {\deg}C eliminates the formation of inversion domains and leads to improved dopant activation efficiency. Extended defects in the form of inversion domains contain…
Superconducting transition temperatures ($T_c$'s) of MgB$_2$, Mg$_{1-x}$Ca$_x$B$_2$, Mg$_{1-x}$Na$_x$B$_2$, and Mg$_{1-x}$Al$_x$B$_2$ are studied within the McMillan approximation using electronic and structural information obtained from…
N type conductivity of \b{eta}-Ga2O3 grown from the melt is typically achieved using Sn and Si. In this paper, we experimentally and computationally investigate Hf doping of \b{eta}-Ga2O3 single crystals using UV-Vis-NIR absorption and Hall…
Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…
We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects (Ga and O vacancies, interstitials, and a Ga vacancy-O vacancy pair) in corundum structured ${\alpha}$-Ga2O3.…
In hole-doped cuprates there is now compelling evidence that inside the pseudogap phase, charge order breaks translational symmetry leading to a reconstruction of the Fermi surface. In $YBa_2Cu_3O_y$ charge order emerges in two steps: a 2D…
The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…
For the prototype diluted ferromagnetic semiconductor (Ga,Mn)As, there is a fundamental concern about the electronic states near the Fermi level, i.e., whether the Fermi level resides in a well-separated impurity band derived from Mn doping…
We report on the growth and characterization of Ge-doped \b{eta}-Ga2O3 thin films using a solid germanium source. \b{eta}-Ga2O3 thin films were grown using a low-pressure chemical vapor deposition (LPCVD) reactor with either an oxygen or…
We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by Grimme, known as the DFT-D2 method. Graphene physisorbed on…
Scalable substitutional doping of two-dimensional (2D) transition metal dichalcogenides (TMDCs) is a prerequisite to developing next-generation logic and memory devices based on 2D materials. To date, doping efforts are still nascent. Here,…
We examine the effects of the low-level substitution of S atoms by C and Si atoms on the superconductivity of H$_3$S with the $Im\bar{3}m$ structure at megabar pressure. The hole doping can fine-tune the Fermi energy to reach the electronic…
A comparative study of pure, SiC, and C doped MgB2 wires has revealed that the SiC doping allowed C substitution and MgB2 formation to take place simultaneously at low temperatures. C substitution enhances Hc2, while the defects, small…
The recent discovery of high thermoelectric performance in Mg$_3$Sb$_2$ has been critically enabled by the success in $n$-type doping of this material, which is achieved under Mg-rich growth conditions, typically with chalcogens (Se, Te) as…
Despite the enormous progress achieved during the past decade, nanoelectronic devices based on two-dimensional (2D) semiconductors still suffer from a limited electrical stability. This limited stability has been shown to result from the…
In order to unravel a role of doping in the iron-based superconductors, we investigated the in-plane resistivity for BaFe$_2$As$_2$ doped at either of the three different lattice sites, Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$,…
The effect of doping in the two-dimensional Hubbard model is studied within finite temperature exact diagonalization combined with cluster dynamical mean field theory. By employing a mixed basis involving cluster sites and bath molecular…