Dependence of nonthermal metallization kinetics on bond ionicity of compounds

0561922 - FZÚ 2023 RIV GB eng J - Journal Article
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
R&D Projects: GA MŠMT(CZ) EF18_053/0016627; GA MŠMT LTT17015
EU Projects: European Commission(XE) 654148 - LASERLAB-EUROPE
Grant - others:OP VVV - Mobility FZU 2(XE) CZ.02.2.69/0.0/0.0/18_053/0016627
Institutional support: RVO:68378271
Keywords : covanently bonded materials * ultrafast excitation * nonthermal structure transformations * bond ionicity of compounds
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 4.380, year: 2020
Method of publishing: 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.

Permanent Link: https://hdl.handle.net/11104/0334345