相关论文: Enabling visible-light absorption and p-type dopin…
YTiO3, as a prototypical Mott insulator, has been the subject of numerous experimental investigations of its electronic structure. The onset of absorption in optical conductivity measurements has generally been interpreted to be due to…
Zincblende copper iodide has been attracting growing interest as p-type semiconductor for applications in transparent electronics and transparent thermoelectrics. A key step towards technological applications is the possibility to enhance…
Ultra-wide-band-gap (UWBG) semiconductors have tremendous potential to advance electronic devices as device performance improves superlinearly with increasing gap. Ambipolar doping, however, has been a major challenge for UWBG materials as…
Oxide semimetals exhibiting both nontrivial topological characteristics stand as exemplary parent compounds and multiple degrees of freedom, offering great promise for the realization of novel electronic states. In this study, we present…
The electronic, thermal and optical properties of a monolayer BeO with Boron (B) and Nitrogen (N) co-dopant atoms are studied by means of a density functional theory computation. Our calculations reveal that BeO with BN-codopant atoms can…
Since the discovery of its photovoltaic properties organometallic salt CH$_3$NH$_3$PbI$_3$ became the subject of vivid interest. The material exhibits high light conversion efficiency, it lases in red color, and it can serve as the basis…
SrTiO3 has attracted considerable interest as a wide-band gap semiconductor for advanced high-k capacitors and photocatalytic applications. Although previous angle-resolved photoemission spectroscopy (ARPES) studies have characterized the…
Topological insulators are novel quantum materials with metallic surface transport, but insulating bulk behavior. Often, topological insulators are dominated by bulk contributions due to defect induced bulk carriers, making it difficult to…
Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…
Spatially controlling the Fermi level of topological insulators and keeping its electronic states stable are indispensable processes to put this material into practical use for semiconductor spintronics devices. So far, however, such a…
Density functional calculations are carried out to study the symmetry and substitution-driven electronic phase transition in BaPb$_{1-x}$Sn$_x$O$_3$. Two end members BaSnO$_3$ and BaPbO$_3$, are found to be insulating and metallic,…
Hyperdoping consists of the intentional introduction of deep-level dopants into a semiconductor in excess of equilibrium concentrations. This causes a broadening of dopant energy levels into an intermediate band between the valence and…
LiNbO3 is a distinguished multifunctional material where ferroelectric domain engineering is of paramount importance. This degree of freedom of the spontaneous polarization remarkably enhances the applicability of LiNbO3, for instance in…
We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict that substitutional (at oxygen sites) and interstitial (at…
The suitability of Ti as a band gap modifier for $\alpha$-Ga$_2$O$_3$ was investigated, taking advantage of the isostructural {\alpha}-phases and high band gap difference between Ti$_2$O$_3$ and Ga$_2$O$_3$. Films of Ti:Ga$_2$O$_3$, with a…
Incorporation of bismuth (Bi) in dilute quantities in (In)GaAs has been shown to lead to unique electronic properties that can in principle be exploited for the design of high efficiency telecomm lasers. This motivates the development of…
Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…
Si doped ZnO has been reported to be a better conductor than pure ZnO. It is reported that carrier density increases and hence conductivity increases. However, the effect on optical transmission is yet not clear until our recent report [1].…
Doped heavy metal-free III-V semiconductor nanocrystal quantum dots are of great interest both from the fundamental aspects of doping in highly confined structures, and from the applicative side of utilizing such building blocks in 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…