Related papers: In2O3 doped with hydrogen: electronic structure an…

Silicon carbide is widely used in electronics, ceramics, and renewable energy due to its exceptional hardness and resistance. In this study, we investigate the effects of hydrostatic and uniaxial pressure (both compressive and tensile) on…

The real part of the in-plane optical self-energy data in underdoped Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+\delta}$ (Bi-2212) and ortho II YBa$_{2}$Cu$_{3}$O$_{6.5}$ contains new and important information on the pseudogap. Using a theoretical…

Optical excitation of large-amplitude apical oxygen phonon oscillations has been shown to renormalize the electronic properties of YBa$_2$Cu$_3$O$_{6+x}$, inducing a superconducting-like optical response above equilibrium $T_C$. All of the…

Tuning the opto-electronic properties through alloying is essential for semiconductor technology. Currently, mostly isovalent and isostructural alloys are used (e.g., group-IV and III-V), but a vast and unexplored space of novel functional…

We report nanosecond time-resolved photoluminescence measurements on the isoelectronic series of oxygen deficient centers in amorphous silica, Si-ODC(II), Ge-ODC(II) and Sn-ODC(II) which are responsible of fluorescence activities at $\sim$4…

We report first-principles calculations that reveal the atomic forms, stability, and energy levels of carbon-related defects in SiC (0001)/SiO$_{\rm 2}$ systems. We clarify the stable position (SiC side, SiO$_{\rm 2}$ side, or just at the…

Understanding electronic properties of sub-stoichiometric phases of titanium oxide such as Magn\'eli phase Ti4O7 is crucial in designing and modeling resistive switching devices. Here we present our study on Magn\'eli phase Ti4O7 together…

In this paper we present detailed study of the density of states near defects in Bi$_2$Se$_3$. In particular, we present data on the commonly found triangular defects in this system. While we do not find any measurable quasiparticle…

Using density functional theory with the inclusion of van der Waals (vdW) interaction, we have investigated electronic energy bands, density of states, effective masses of charge carriers, and photo absorption coefficients of pseudo-cubic…

Two-dimensional (2D) materials have emerged as promising platforms for quantum technologies and optoelectronics, with defects playing a crucial role in their properties. We present a comprehensive density functional theory study of silicon…

Owing to the increasing popularity of lead-based hybrid perovskites for photovoltaic (PV) applications, it is crucial to understand their defect physics and its influence on their optoelectronic properties. In this work, we simulate various…

The electronic structure of In$_{2-x}$V$_x$O$_3$ ($x=0.08$) has been investigated using photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). The V $2p$ core-level PES and XAS spectra revealed trivalent electronic state…

Semiconductor heterostructures capable of separating photogenerated electrons and holes have a wide range of optoelectronic applications, including photodetectors, solar cells, and photocatalysts. ${\beta}$-Ga$_2$O$_3$ and rutile GeO$_2$…

The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO$_3$ and PbTiO$_3$ (STO/PTO) is determined using first principles density functional theory calculations. Specifically, the oxygen vacancy formation…

Defect-free SrTiO3 (STO) is a band insulator but Angle Resolved Photoemission Spectroscopy (ARPES) experiments have demonstrated the existence of a nanometer thin two-dimensional electron liquid (2DEG) at the (001) oriented surface of this…

Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…

With a large band gap and a single Dirac cone responsible for the topological surface states, Bi2Se3 is widely regarded as a prototypical 3D topological insulator. Further applications of the bulk material has, however, been hindered by…

We present a theory for the pseudo-gap state recently observed at the LaAlO3/SrTiO3 interface, based on superconducting islands embedded in a metallic background. Superconductivity within each island is BCS-like, and the local critical…

We present a study of mechanical, electronic and magnetic properties of two dimensional (2D), monolayer of silicon carbide (SiC) in honeycomb structure and its quasi 1D armchair nanoribbons using first-principles plane wave method. In order…

In the present Ph.D. Thesis we report an experimental investigation on the effects of gamma- and beta-ray irradiation and of subsequent thermal treatment on many types of a-SiO2 materials, differing in the production methods, OH- and…