相关论文: Probing electronic transitions and defect-induced …

The probability density function (PDF) and cumulative density function (CDF) of bulk BiFeO3, nanostructured BiFeO$_3$, and thick film of BiFeO$_{2.85}$ were studied in detail based on their experimental absorption data. The goal of this…

BiFeO$_{3}$ is multiferroic material with space group Pbnm exhibits coupling of both magnetic and electric orders under strain force. To analyze band gap Tauc plot extrapolation method is used $\&$ remarkably smaller than some reported…

In ultrawide bandgap (UWBG) nitride and oxide semiconductors, increased bandgap (Eg) correlates with greater ionicity and strong electron-phonon coupling. This limits mobility through polar optical phonon scattering, localizes carriers via…

Bismuth ferrite, BiFeO3, is a multiferroic solid that is attracting increasing attention as a potential photocatalytic material, because the ferroelectric polarisation enhances the separation of photogenerated carriers. With the motivation…

After more than a century of studies on the optical properties of Bi3+ ions, the assignment of the nature of the emissions and the bands of the absorption spectra remain ambiguous. Here, we report an insight into the spectroscopy of…

Knowledge of the electronic band structure of multiferroic oxides, crucial for the understanding and tuning of photo-induced effects, remains very limited even in the model and thoroughly studied BiFeO3. Here, we investigate the electronic…

Density functional plus dynamical mean field calculations are used to show that in transition metal oxides, rotational and tilting (GdFeO$_3$-type) distortions of the ideal cubic perovskite structure produce a multiplicity of low-energy…

Perovskite SrRuO3, a prototypical conductive ferromagnetic oxide, exhibits a kink in its band dispersion signalling the unusual electron dynamics therein. However, the origin of this kink remains elusive. By taking advantage of the combo of…

In this study, the effects of sulfur substitution on the structural, mechanical, electronic, optical, and thermodynamic properties of RbTaO3-xSx have been investigated using the WIEN2k code in the framework of density functional theory…

Perovskite oxides are promising for energy and quantum technologies, but wide-gap hosts such as NaAlO3 suffer from deep-UV absorption and limited carrier transport. Using first-principles GGA+U+SOC calculations, we investigate Eu3+-, Gd3+-,…

First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…

Among the transparent conducting oxides, the perovskite barium stannate is most promising for various electronic applications due to its outstanding carrier mobility achieved at room temperature. However, most of its important…

Perovskite oxides ABO$_3$ containing heavy B-site elements are a class of candidate materials to host topological metals with a large spin-orbit interaction. In contrast to the band insulator BaSnO$_3$, the semimetal BaPbO$_3$ is proposed…

Various physical properties (electronic, optical and thermoelectric) of cubic perovskite oxides $SrXO_3\; (X=Sc,\; Ge,\; Si)$ are investigated by using the density functional theory (DFT) within Wien2k code. This code is based on different…

We report the temperature-dependent complex dielectric function of pristine bulk SrTiO$_3$ between 4.2 and 300 K within the energy range of 0.6-6.5 eV determined by spectroscopic ellipsometry. Fundamental indirect and direct band-gap…

With their broad range of magnetic, electronic and structural properties, transition metal perovskite oxides ABO3 have long served as a platform for testing condensed matter theories. In particular, their insulating character - found in…

We investigate numerically the impact of the electron-phonon scattering on the optical properties of a perovskite material (CH3NH3PbI3). Using non-equilibrium Green functions formalism, we calculate the local density-of-states for several…

The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within the Perdew-Burke- Ernzerhof revised for solids (PBEsol) + U…

We have investigated the structural, mechanical, electronic and optical properties of Rb-based cubic perovskite RbBaX$_3$ (X = F, Cl, Br, I) under hydrostatic pressure, using first-principle density functional theory (DFT). All RbBaX$_3$…

We present the first wide range (2 meV$-$5.5 eV) optical conductivity of EuB$_6$ from reflectivity and ellipsometry measurements. Upon the ferromagnetic transition at T$_{c}$=15.5 K, interband transition $\sigma_{1}(\omega)$ decreases at…