Related papers: Computer modelling of hafnium doping in lithium ni…

Integrated optical amplifiers and light sources are of great significance for photonic integrated circuits (PICs) and have attracted many research interests. Doping rare-earth ions in materials as a solution to realize efficient optical…

This study investigates the influence of indium doping on the defect states in (Bi0.3Sb0.7)2Te3 (BST) ternary topological insulators. Thin (10 nm) and thick (60 nm) films of pristine BST and indium-doped BST (In0.14(Bi0.3Sb0.7)1.86Te3) were…

CaMnO3 is a simple bi-partite antiferromagnet(AF) which can be continuously electron-doped up to LaMnO3. Electrons enter the doubly degenerate E_g subshell with spins aligned to the S=3/2 core of Mn^4+ (T_2g^3)$. We take the Hubbard and…

We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…

Herein, a self-assembled hierarchical structure of hematite ($\alpha$-$Fe_2O_3$) was synthesized via a one-pot hydrothermal method. Subsequently, the nanomaterial was doped to get $M_{x}Fe_{2-x}O_3$ (M = Mn-Co; x = 0.01, 0.05, 0.1) at…

The stability, electronic structure, optical and thermoelectric properties of Te-doped BaTiO3 are investigated by first-principal calculation based on the density functional theory and Boltzmann transport theory implemented in WIEN2K and…

Lithium niobate (LiNbO$_3$, LN) is a ferroelectric crystal of interest for integrated photonics owing to its large second-order optical nonlinearity and the ability to impart periodic poling via an external electric field. However, on-chip…

The hexagonal multiferroic oxide YMnO$_3$ has demonstrated applications in various fields and is widely researched due to its interesting properties. Since Mn(3d)--O(2p) interactions predominate close to the Fermi level, doping in the…

Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…

Thin-film lithium niobate is a promising platform owing to its large electro-optic coefficients and low propagation loss. However, the large footprints of devices limit their application in large-scale integrated optical systems. A crucial…

A comparative study of the electrical and optical properties has been done on 3d-doped TiO$_2$. Ti$_{1-x}$M$_x$O$_2$ (M= Sc, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) powder and its corresponding pellets, with doping concentration $x= 0.05$. The…

Cubic boron nitride (cBN) is an ultra-wide bandgap, super-hard material with potential for extreme-temperature and -pressure applications. A proof-of-principle p-n junction using cBN was demonstrated almost three decades ago. However, to…

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…

Photonic integrated circuits based on Lithium Niobate have demonstrated the vast capabilities afforded by material with a high Pockels coefficient, allowing linear and high-speed modulators operating at CMOS voltage levels for applications…

As2S3 film doped with erbium is prepared using multi-layer magnetron sputtering. The optical properties were measured by reflectance spectroscopy, and its chemical composition is examined by x-ray photoelectron, Rutherford backscattering,…

A small percentage of dopant atoms can completely change the physical properties of the host material. For example, chemical doping controls the electronic transport behavior of semiconductors and gives rise to a wide range of emergent…

Aliovalent doping in an oxide material introduces modifications in the valence state of the host cation and often leads to tailoring the oxygen content in the lattice. Moreover, if the dopant cation is larger than the host cation, the…

Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron…

The photocatalytic production of hydrogen peroxide (H$_2$O$_2$) from water is a promising strategy for solar-to-chemical energy conversion. Herein, we investigate the effect of metal-free heteroatom doping (B, O, P, and S) on the…

Solid-state devices made from correlated oxides such as perovskite nickelates are promising for neuromorphic computing by mimicking biological synaptic function. However, comprehending dopant action at the nanoscale poses a formidable…