Related papers: Boron doping in gallium oxide from first principle…
We present the concept and experimental realization of polarization-induced bulk electron doping in III-V nitride semiconductors. By exploiting the large polarization charges in the III-V nitrides, we are able to create wide slabs of high…
First principles calculations through density functional theory (DFT)+$U$ method were performed to assess the effect of Li interstitial doping on the optoelectronic properties of NiO and of cubic, hexagonal, and monoclinic WO$_3$. The…
Hole carrier doping has been tried to pseudo-low-dimensional material La2RuO5 by substituting La3+ with Cd2+. Single phased samples of La2-xCdxRuO5 with x up to 0.5 have been successfully obtained and also high pressure O2 annealing has…
Doping of the ultrawide band gap semicodnctor LiGaO$_2$ ($E_g=5.6$ eV) with N$_2$, NO and O$_2$ molecules placed in either Ga or Li-vacancies is studied using first-principles calculations. These molecular dopants are considered as…
Here, we report an evolution of structural, magnetic and transport behavior in doped SrRu$_{1-x}$Ga$_x$O$_3$ ($x$ $\le$ 0.2). The nonmagnetic dopant Ga$^{3+}$ (3$d^{10}$) not only acts for magnetic site dilution in SrRuO$_3$ but also it…
The electronic properties of boron-nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated by using density functional calculations. Three different configurations are possible: the carbon atoms may replace a line of…
Finding suitable p-type dopants, as well as reliable doping and characterization methods for the emerging wide bandgap semiconductor $\beta$-$Ga_2O_3$ could strongly influence and contribute to the development of the next generation of…
We present a combined experimental and theoretical study of the charging dynamics of helium nanodroplets doped with atoms of different species and irradiated by intense near-infrared (NIR) laser pulses (<10^15 Wcm-2). In particular, we…
Herein, we present a detailed study of the structural, optical, and electrochemical responses of Gd$_2$O$_3$ doped with nickel zinc ferrite nanoparticles. Doping of Ni$_{0.5}$Zn$_{0.5}$Fe$_2$O$_4$ nanoparticles to Gd$_2$O$_3$ powder was…
The polymer (PBDTTT-c) p-doped with the molecular dopant (Mo(tfd-COCF3)3) exhibits a decline in transport properties at high doping concentrations, which limits the performance attainable through organic semiconductor doping. Scanning…
Determining the types and concentrations of vacancies present in intentionally doped GaN is a notoriously difficult and long-debated problem. Here we use an unconventional approach, based on thermal transport modeling, to determine the…
In this work, doping-defect interactions relevant to self-compensation in p-type GaN were investigated using atom probe tomography. The 3D visualization of ion distribution revealed the formation of spherical Mg-rich clusters and the…
Recently the point defect responsible for the intra-3$d$ luminescence of cobalt in doped ZnO samples has been indentified\,\cite{pssb2019}. In this work we further extend our investigation to other point defects in Co-doped ZnO. We use…
The interaction between substitutional nitrogen atoms in graphene is studied by performing first principles calculations. The nearest neighbor interaction between nitrogen dopants is highly repulsive because of the strong electrostatic…
P mono-doped and (P, N) co-doped ZnO are investigated by the first-principles calculations. It is found that substitutive P defect forms a deep acceptor level at O site (PO) and it behaves as a donor at Zn site (PZn), while interstitial P…
We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are…
Boron-doped diamond undergoes an insulator-metal transition at some critical value (around 2.21 at %) of the dopand concentration. Here, we report a simple method for the calculation of its bulk modulus, based on the thermodynamical model,…
The magnetic excitations in electron doped (Sr$_{1-x}$La$_x$)$_2$IrO$_4$ with $x = 0.03$ were measured using resonant inelastic X-ray scattering at the Ir $L_3$-edge. Although much broadened, well defined dispersive magnetic excitations…
Recently, new quantum features have been observed and studied in the area of nanostructured layers. Nanograting on the surface of the thin layer imposes additional boundary conditions on the electron wave function and induces G-doping or…
By considering both the average structural parameters obtained from Rietveld refinement of neutron powder diffraction data, and the local structural parameters obtained from the atomic pair distribution function, we have tested the recent…