Insights on the relevance of formalism for strongly correlated Ta electrons probing the nanoscale in oxides: Combined time-differential perturbed angular correlation …
This work presents a combined experimental and ab initio study investigating the relevance
of applying the density-functional theory plus U (DFT+ U) formalism to correctly describe …
of applying the density-functional theory plus U (DFT+ U) formalism to correctly describe …
Experimental and First-Principles Theoretical Study of Structural and Electronic Properties in Tantalum-Doped In2O3 Semiconductor: Finding a Definitive Hyperfine …
In this work we present an experimental and theoretical study from first-principles of the
structural, electronic, and hyperfine properties of Ta-doped In2O3 semiconductor. The ab …
structural, electronic, and hyperfine properties of Ta-doped In2O3 semiconductor. The ab …
Substitutional Ta-doping in Y2O3 semiconductor by sol-gel synthesis: experimental and theoretical studies
D Richard, M Rentería… - … Science and Technology, 2017 - iopscience.iop.org
The Pechini sol-gel method has been employed for the synthesis of pure and (181 Hf→) 181
Ta-doped Y 2 O 3 nanopowders. We performed a structural characterization from the micro …
Ta-doped Y 2 O 3 nanopowders. We performed a structural characterization from the micro …
Local Crystalline Structure of Doped Semiconductor Oxides Characterized by Perturbed Angular Correlations: Experimental and Theoretical Insights
A Burimova, AW Carbonari, NP de Lima… - Crystals, 2022 - mdpi.com
Doping semiconductor oxides with trace amounts of non-native elements can improve their
properties such as bandgap and conductivity. The lack of local techniques makes the …
properties such as bandgap and conductivity. The lack of local techniques makes the …
The GIPAW approach for the study of local structures and the electric field gradients at Cd and Ta impurity sites. Application to doped yttria ceramics
D Richard, AVG Rebaza - Computational Materials Science, 2020 - Elsevier
We report a first-principles study on the structural properties, the electronic structure and the
hyperfine properties of the pure, Cd-, and Ta-doped yttria (Y 2 O 3) using the Gauge …
hyperfine properties of the pure, Cd-, and Ta-doped yttria (Y 2 O 3) using the Gauge …
Propiedades estructurales y electrónicas de óxidos de tierras raras
D Richard - 2014 - sedici.unlp.edu.ar
Mediante una metodología que combina técnicas experimentales y cálculos de primeros
principios se estudiaron los sesquióxidos de tierras raras (RE 2 O 3) de fases A y C, puros y …
principios se estudiaron los sesquióxidos de tierras raras (RE 2 O 3) de fases A y C, puros y …