Philippe Thomas

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cond-mat.mtrl-sci2025

Ab-initio study of structural, vibrational and non-linear optical properties of (TiO2)-(Tl2O)-(TeO2) glasses

Raghvender Raghvender, Assil Bouzid, Evgenii M. Roginskii +4

This paper reports on a systematic first-principles molecular dynamics investigation of binary (TlO $_{0.5}$ ) $_{y}$ -(TeO $_{2}$ ) $_{1 - y}$ and ternary $(T i O$ _{2} $)$ _{x} $- (T l O$ _{0.5} $)$ _{…

cond-mat.mtrl-sci2025

Atomic scale structure and dynamical properties of (TeO $_{2}$ ) $_{1 - x}$ -(Na $_{2}$ O) $_{x}$ glasses through first-principles modeling and XRD measurements

Firas Shuaib, Assil Bouzid, Remi Piotrowski +10

We resort to first-principles molecular dynamics, in synergy with experiments, to study structural evolution and Na $^{+}$ cation diffusion inside (TeO $_{2}$ ) $_{1 - x}$ -(Na $_{2}$ O) $_{x}$ (x…

Ab-initio study of structural, vibrational and non-linear optical properties of (TiO2)-(Tl2O)-(TeO2) glasses

Atomic scale structure and dynamical properties of (TeO2​)1−x​-(Na2​O)x​ glasses through first-principles modeling and XRD measurements

Atomic scale structure and dynamical properties of (TeO $_{2}$ ) $_{1 - x}$ -(Na $_{2}$ O) $_{x}$ glasses through first-principles modeling and XRD measurements