相关论文: Iridium-doping as a strategy to realize visible li…

In this report, the optical properties of Ta doped SrTiO3 (STO) due to its potential in transparent conducting oxides (TCOs) is explored by a combination of theoretical studies based on density functional theory and spectroscopic…

We report calculations of the electronic structure and optical properties of doped $n$-type perovskite BaSnO3 and layered perovskites. While doped BaSnO$_3$ retains its transparency for energies below the valence to conduction band onset,…

Magnetic doping with transition metal ions is the most widely used approach to break timereversal symmetry in a topological insulator, a prerequisite for unlocking the TIs exotic potential. Recently, we reported the doping of Bi2Te3 thin…

We report on optical properties of reduced BaTiO3-d at different doping levels including insulating and metallic samples. In all the samples, including metallic one, we observe structural phase transitions from the changes in the…

Controlling the charge carrier density provides an efficient way to trigger phase transitions and modulate the optoelectronic properties in natural materials. This approach could be used to induce topological transitions in the optical…

Because of its exceptionally large Pockels coefficient, barium titanate (BaTiO$_3$) is a promising material for various photonic applications at both room and cryogenic temperatures, including electro-optic modulation, frequency comb…

Rare earth doping is an effective way to convert chemically stable oxides into multifunctional materials with coupled electronic, optical, and magnetic properties. We present first principles calculations of pristine and Tm3+ doped Ca2SnO4…

Following the recent surge of interest in n-doped strontium titanate as a possible blue light emitter, a time-resolved photoluminescence analysis was performed on nominally pure, Nb-doped and oxygen-deficient single-crystal SrTiO3 samples.…

Nickel oxide is a versatile p-type semiconducting oxide with many applications in opto-electronic devices, but high doping concentrations are often required to achieve necessary electrical conductivity. In contrast to many other transparent…

Two-dimensional (2D) $\beta$-TeO$_2$ has gained attention as a promising material for optoelectronic and power device applications, thanks to its transparency and high hole mobility. However, the underlying mechanism behind its $p$-type…

Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO$_2$, using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O…

Topological insulators are a new class of insulators with conducting surface state. Most of the topological insulators are chalcogenides, where a tiny amount of chalcogen vacancy destroys the predicted bulk insulating state and results in a…

Doping is one of the most common strategies for improving the photocatalytic and solar energy conversion properties of TiO$_2$, hence an accurate theoretical description of the electronic and optical properties of doped TiO$_2$ is of both…

The n-type tensile-strained Ge can be used as high-efficient light-emitting materials. To reveal the influence of n-type doping on the electronic structure of Ge, we have computed the electronic structure of P, As and Sb doped Ge using…

Single crystals of KNbO3 and KNbO3 : Fe have been grown using the flux method at various technological conditions. The investigations of optical absorption of these crystals were carried out. Marked influence of technological conditions and…

Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to oxygen evolution reaction (OER) and hydrogen evolution…

Electrostatic doping into an $n$-type Mott insulator Sm$_{2}$CuO$_{4}$ has been successfully achieved with use of the heterojunction with an $n$-type band semiconductor Nb-doped SrTiO$_{3}$. The junction exhibits rectifying current-voltage…

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…

We report \emph{ab initio} predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO$_{3}$ doped with vanadium. V impurities coupled ferromagnetically carry a magnetization of 1 $\mu_{\rm B}$…

Transition metal oxides, which have a perovskite structure, have received much attention in recent decades. This is because of the very suitable properties that can be used in various industries. One of the fields where the properties of…