Nonthermal phase transitions in irradiated oxides

. 2020 Jul 29 ; 32 (43) : . [epub] 20200729

Status PubMed-not-MEDLINE Jazyk angličtina Země Anglie, Velká Británie Médium electronic

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/pmid32634796

It is predicted theoretically that various oxides (Al2O3, MgO, SiO2and TiO2) under ultrafast excitation of the electronic system exhibit nonthermal phase transitions. In the bulk, Al2O3transiently forms a superionic phase via nonthermal phase transition, MgO and SiO2disorder, TiO2experiences solid-solid phase transition while thermal effects lead to melting. In the finite-size samples and near-surface regions, MgO undergoes solid-solid phase transition at lower doses than those required for atomic disorder. All studied oxides but TiO2, if allowed to expand, exhibit a lower damage threshold, whereas in TiO2expansion releases the stress and prevents solid-solid phase transition thereby increasing the damage threshold up to the melting one. The results suggest that a nonthermal phase transition is a general response of oxides to sufficiently high ultrafast electronic excitation. A comparison with nonadiabatic simulations demonstrates that Born-Oppenheimer approximation systematically overestimates damage thresholds, and in some cases misses a phase transition entirely.

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