Dependence of nonthermal metallization kinetics on bond ionicity of compounds

0561922 - FZÚ 2023 RIV GB eng J - Článek v odborném periodiku
Voronkov, R. A. - Medvedev, Nikita - Volkov, A.E.
Dependence of nonthermal metallization kinetics on bond ionicity of compounds.
Scientific Reports. Roč. 10, č. 1 (2020), č. článku 13070. ISSN 2045-2322. E-ISSN 2045-2322
Grant CEP: GA MŠMT(CZ) EF18_053/0016627; GA MŠMT LTT17015
GRANT EU: European Commission(XE) 654148 - LASERLAB-EUROPE
Grant ostatní: OP VVV - Mobility FZU 2(XE) CZ.02.2.69/0.0/0.0/18_053/0016627
Institucionální podpora: RVO:68378271
Klíčová slova: covanently bonded materials * ultrafast excitation * nonthermal structure transformations * bond ionicity of compounds
Obor OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impakt faktor: 4.380, rok: 2020
Způsob publikování: Open access

It is known that covalently bonded materials undergo nonthermal structure transformations upon ultrafast excitation of an electronic system, whereas metals exhibit phonon hardening in the bulk. Here we study how ionic bonds react to electronic excitation. Density- functional molecular dynamic predicts that ionic crystals may melt nonthermally, however, into an electronically insulating state, in contrast to covalent materials. We demonstrate that the band gap behavior during nonthermal transitions depends on a bonding type: it is harder to collapse the band gap in more ionic compounds, which is illustrated by transformations in Y2O3 vs. NaCl, LiF and KBr.

Trvalý link: https://hdl.handle.net/11104/0334345