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Related papers: Ba_{2}TeO as an optoelectronic material: First-pri…

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Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…

Materials Science · Physics 2012-08-02 José I. Martínez , Federico Calle-Vallejo , Clifford M. Krowne , Julio A. Alonso

Optical gain is a critical process in today's semiconductor technology and it is most often achieved via stimulated emission. In this theoretical study, we find a resonant TE mode in biased low-symmetry two-dimensional metallic systems…

Mesoscale and Nanoscale Physics · Physics 2025-10-30 N. Roldan-Levchenko , D. J. P. de Sousa , C. O. Ascencio , J. D. S Forte , L. Martin-Moreno , T. Low

$\alpha$-TeO2 is widely used in acousto-optic devices due to its excellent physical properties. Conventionally, $\alpha$-TeO2 single crystals were grown using melt methods. Here, we report for the first time the growth of $\alpha$-TeO2…

Materials Science · Physics 2024-04-04 Lu Han , Chao Liu , Xiaoli Wang , Feiyu Li , Chuanyan Fan , Junjie Zhang

The electronic structure, linear and nonlinear optical properties have been calculated for CuInX2 (X=S, Se, Te) chalcopyrite-structure single crystals using the state-of-the-art full potential linear augmented plane wave (FP-LAPW) method.…

Materials Science · Physics 2009-01-15 Ali Hussain Reshak , S Auluck

Superconducting EuFe2(As0.82P0.18)2 single crystals are investigated by infrared spectroscopy in a wide frequency range. Below Tc=28K a superconducting gap forms at 2\Delta_{0} = 9.5 meV = 3.8 k_B T_c causing the reflectivity to sharply…

Superconductivity · Physics 2015-05-20 D. Wu , G. Chanda , H. S. Jeevan , P. Gegenwart , M. Dressel

Transparent conducting oxides (TCOs) are essential to many technologies. These materials are doped (\emph{n}- or \emph{p}-type) oxides with a large enough band gap (ideally $>$3~eV) to ensure transparency. However, the high carrier…

Materials Science · Physics 2016-06-22 Viet-Anh Ha , David Waroquiers , Gian-Marco Rignanese , Geoffroy Hautier

Recently we have suggested that two-dimensional broadband transformation optics devices based on metamaterial designs may be built using tapered waveguides. Here we review application of this principle to broadband electromagnetic cloaking,…

The metal-metal bond in metal-rich chalcogenide is known to exhibit various structures and dominate interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered…

Superconductivity · Physics 2020-06-23 Xin Gui , Karolina Gornicka , Tomasz Klimczuk , Weiwei Xie

Boron forms a wide variety of compounds with alkaline earth elements due to its unique bonding characteristics. Among these, binary compounds of Be and B display particularly rich structural diversity, attributed to the small atomic size of…

Materials Science · Physics 2025-12-05 Xiao Zhang , Shashi Mishra , Elena R. Margine , Emmanouil Kioupakis

High energy electron irradiation is used to controllably introduce atomic-scale point defects into single crystalline Ba(Fe_1-xCo_x)_2As_2, Ba(Fe_1-xNi_x)_2As_2, and BaFe_2(As_1-xP_x)_2. The appearance of the collective pinning contribution…

Transparent conducting oxides (TCOs) represent a remarkable class of materials that possess both excellent electrical conductivity and high optical transparency, which are typically considered mutually exclusive in traditional materials. In…

Materials Science · Physics 2024-10-22 Jarnail Singh , Pankaj Bhardwaj

The temperature dependence of the $ab$-plane optical reflectivity of Ba(Fe$_{0.92}$Co$_{0.08})_2$As$_{2}$ and Ba(Fe$_{0.95}$Ni$_{0.05})_2$As$_{2}$ single crystals is measured in a wide spectral range. Upon entering the superconducting…

Superconductivity · Physics 2009-12-07 D. Wu , N. Barisic , N. Drichko , P. Kallina , A. Faridian , B. Gorshunov , M. Dressel , L. J. Li , X. Lin , G. H. Cao , Z. A. Xu

We have used density functional theory calculations based on the projector augmented wave method to investigate the electronic structure of Au-incorporated anatase TiO$_2$(001) surface. Due to the coordination with several level oxygens, Au…

Strongly Correlated Electrons · Physics 2009-07-18 E. Mete , O. Gulseren , S. Ellialtioglu

Numerous physical properties of CaPd3Ti4O12 (CPTO) and CaPd3V4O12 (CPVO) double perovskites have been explored based on density functional theory (DFT). The calculated structural parameters fairly agree with the experimental data to confirm…

Materials that exhibit a low work function and therefore easily emit electrons into vacuum form the basis of electronic devices used in applications ranging from satellite communications to thermionic energy conversion. W-Ba-O is the…

Materials Science · Physics 2017-12-15 Ryan Jacobs , Dane Morgan , John Booske

First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…

Materials Science · Physics 2007-05-23 Hong-Jian Feng , Fa-Min Liu

Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…

The presented work is focused on the optical and magneto-optical characterization of TeO2-ZnO-BaO (TZB) tellurite glasses. We investigated the refractive index and extinction coefficient dispersion by spectroscopic ellipsometry from…

ZrO2:10%SiO2 thinfilms have been deposited on fused silica substrate by reactive electron beam co-evaporation technique at different oxygen partial pressure. The structural analysis shows tetragonal phase with residual tensile stress in the…

Materials Science · Physics 2020-09-22 S. Jena , R. B. Tokas , S. Thakur , N. K. Sahoo

Traditional solid-state physics has long correlated the optical properties of materials with their electronic structures. However, recent discoveries of intrinsic gapped metals have challenged this classical view. Gapped metals possess…

Materials Science · Physics 2023-04-28 Muhammad Rizwan Khan , Harshan Reddy Gopidi , Oleksandr I. Malyi