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In complex transition metal oxide heterostructures of physically dissimilar perovskite compounds, interface phenomena can lead to novel physical properties not observed in either of their constituents. This remarkable feature opens new…
The discovery of transparent electrodes led to the development of optoelectronic devices such as OLEDs, LCDs, touchscreens, IR sensors, etc. Since ITO has many drawbacks in respect of its production cost and limited transparency in IR,…
Wide bandgap (WBG) semiconductors (Eg >2.0 eV) are integral to the advancement of next generation electronics, optoelectronics, and power industries, owing to their capability for high temperature operation, high breakdown voltage and…
The short-range organization around Ni atoms in orthorhombic $R$NiO$_{3}$ ($R$=Pr,Nd,Eu) perovskites has been studied over a wide temperature range by Ni K-edge x-ray absorption spectroscopy. Our results demonstrate that two different Ni…
We report the calculated fundamental band gaps of \emph{wurtzite} ternary alloys Zn$_{1-x}$M$_x$O (M=Mg, Cd) and the band offsets of the ZnO/Zn$_{1-x}$M$_x$O heterojunctions, these II-VI materials are important for electronics and…
We report a first-principle theoretical study of a monolayer-thick lateral heterostructure (LH) joining two different transition metal dichalcogenides (TMDC): NbS2 and WSe2. The NbS2//WSe2 LH can be considered a prototypical example of a…
The recently reported superconductivity 9-15 K in Nd0.8Sr0.2NiO2/SrTiO3 heterostructures that were fabricated by a soft-chemical topotactic reduction approach based on precursor Nd0.8Sr0.2NiO3 thin films deposited on SrTiO3 substrates, has…
We have performed a depth-profile analysis of an all-oxide p-n junction diode n-ZnO/p-NiO using photoemission spectroscopy combined with Ar-ion sputtering. Systematic core-level shifts were observed during the gradual removal of the ZnO…
Organic/inorganic hybrid systems offer great potential for novel solar cell design combining the tunability of organic chromophore absorption properties with high charge carrier mobilities of inorganic semiconductors. However, often such…
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…
The conductivity of carbon nanotube (CNT) networks can be improved markedly by doping with nitric acid. In the present work, CNTs and junctions of CNTs functionalized with NO$_3$ molecules are investigated to understand the microscopic…
Obtaining accurate band structures of correlated solids has been one of the most important and challenging problems in first-principles electronic structure calculation. There have been promising recent active developments of wave function…
The band structure, optical and defects properties of Ba_{2}TeO are systematically investigated using density functional theory with a view to understanding its potential as an optoelectronic or trans- parent conducting material. Ba_{2}TeO…
Energy band realignment at the interfaces between materials in heterostructures can give rise to unique electronic characteristics and non-trivial low-dimensional charge states. In a homojunction of monolayer and multilayer MoS$_2$, the…
The knowledge of the carrier dynamics in nanostructures is of fundamental importance for the development of (opto)electronic devices. This is true for semiconducting nanostructures as well as for plasmonic nanoparticles (NPs). Indeed,…
Nanotechnology has already made indelible dents in the fields of communication, computation, electronics, photonics, gas sensors, diagnostic technologies, catalysis, drug delivery systems and imaging. In particular, ZnO nanostructures have…
ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study,…
The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to electrically coupling crystalline oxides with semiconductors to realize functional behavior is…
Modeling light-matter interaction in hybrid plasmonic materials is vital to their widening relevance from optoelectronics to photocatalysis. Here, we explore photoluminescence from ZnO nanorods (ZNR) embedded with gold nanoparticles (Au…
Novel materials with large electro-optic (EO) coefficients are essential for developing ultra-compact broadband modulators and enabling effective quantum transduction. Compared to lithium niobate, the most widely used nonlinear optical…