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Articles

PBE-Calculated Temperature Dependence of the Electric Field Gradient of the Ti site in Pure TiO2

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By Si Qi, Ian Chang Jie
| zenodo.org
Published July 6, 2026 | Version v1 Temperature dependence of the electric field gradient (EFG) for Ti site 1 in pure TiO2 calculated using the PBE functional, supporting the study “Influence of symmetry-resolved phonon dynamics on the temperature-dependent electric field gradients in solids.” Calculations were performed using VASP 6.4.2. Name Size md5:da3802139645791d419bc834046e26f2 20.2 kB
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CERN Document Server

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By Thiên Thanh, Hans Christian, Ian Chang Jie
| cds.cern.ch
Home > Room-Temperature $^{181}$Ta(TiO$_2$): An e-γ TDPAC Study Title Room-Temperature $^{181}$Ta(TiO$_2$): An e-γ TDPAC Study Author(s) Yap, Ian Chang Jie (Gottingen U., II. Phys. Inst.) ; Schell, Juliana (CERN ; Duisburg-Essen U.) ; Dang, Thien Thanh (Duisburg-Essen U.) ; Noll, Cornelia (Bonn U., HISKP) ; Beck, Reinhard (Bonn U., HISKP) ; Köster, Ulli (Laue-Langevin Inst.) ; Mansano, Ronaldo (Sao Paulo U.) ; Hofsäss, Hans Christian (Gottingen U., II. Phys. Inst.) Imprint 31 p.
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