Perturbed angular correlation spectroscopy–A tool for the study of defects and diffusion at the atomic scale

MO Zacate, H Jaeger - Defect and Diffusion Forum, 2011 - Trans Tech Publ
This paper provides an introduction to perturbed angular correlation (PAC) spectroscopy in
the context of its application in the study of point defects and diffusion. It emphasizes what …

Charge distribution and hyperfine interactions in the vicinity of impurity sites in In2O3 doped with Fe, Co, and Ni

C Sena, MS Costa, EL Muñoz… - Journal of Magnetism …, 2015 - Elsevier
In this paper, first-principles calculations based on density functional theory (DFT) were used
to determine TM (TM= Fe, Ni, Co) and Cd impurity locations in the In 2 O 3 host structure …

Site localization of Cd impurities in sapphire

GN Darriba, M Rentería, HM Petrilli, LVC Assali - Physical Review B …, 2012 - APS
By combining first-principles electronic structure calculations and existing time-differential γ-
γ perturbed-angular-correlation experiments we studied the site localization, the local …

Ion implantation in titanium dioxide thin films studied by perturbed angular correlations

J Schell, DC Lupascu, AW Carbonari… - Journal of Applied …, 2017 - pubs.aip.org
The local environment in titanium dioxide was studied by the time dependent perturbed γ-γ
angular correlation of 111 In/111 Cd and 181 Hf/181 Ta at the Helmholtz-Institut für Strahlen …

[HTML][HTML] Cobalt Do** Effects in Zinc Oxide: A Combined Experimental and Ab Initio Approach

LFD Pereira, WL Ferreira, BS Correa, MS Costa… - Crystals, 2023 - mdpi.com
In this paper, we investigate the solubility effects of Co in ZnO (Zn1− xCoxO, where x= 0,
0.03, 0.05, 0.1, 0.2, 0.25, 0.4, 0.8, and 1) by combining the results of perturbed angular …

Oxygen vacancies adjacent to Cu2+ ions in TiO2 (rutile) crystals

AT Brant, S Yang, NC Giles, MZ Iqbal… - Journal of Applied …, 2011 - pubs.aip.org
Electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR)
are used to characterize Cu 2+ ions substituting for Ti 4+ ions in nominally undoped TiO 2 …

Ab Initio Study of Structural, Electronic, and Hyperfine Properties of n-type SnO2:Ta Semiconductor

GN Darriba, EL Muñoz, LA Errico… - The Journal of Physical …, 2014 - ACS Publications
A detailed theoretical first-principles study of structural, electronic, and hyperfine properties
at Sn and Ta sites of undoped and Ta-doped rutile SnO2 is presented, using the Full …

Cationic vacancies and anomalous spectral-weight transfer in TiTaO thin films studied via polarization-dependent near-edge x-ray absorption fine structure …

DC Qi, AR Barman, L Debbichi, S Dhar, I Santoso… - Physical Review B …, 2013 - APS
We report the electronic structures of Ta-doped anatase TiO 2 thin films grown by pulsed
laser deposition (PLD) with varying magnetization using a combination of first-principles …

In and Cd as defect traps in titanium dioxide

J Schell, DC Lupascu, JG Martins Correia… - Hyperfine …, 2017 - Springer
We present a study of TiO 2 single crystals from the point of view of the dopant atom that
simultaneously behaves as the probing element. We used gamma-gamma time dependent …

Electronic and structural properties, and hyperfine interactions at Sc sites in the semiconductor : TDPAC and ab initio study

D Richard, EL Muñoz, T Butz, LA Errico… - Physical Review B …, 2010 - APS
The time-differential γ-γ perturbed-angular-correlation (TDPAC) technique using T 44 i→ S
44 c tracers was applied to study the nuclear quadrupole interaction of the first excited I= 1 …