Ontology highlight
ABSTRACT:
SUBMITTER: Xiao HY
PROVIDER: S-EPMC5389128 | biostudies-literature | 2015 Feb
REPOSITORIES: biostudies-literature
Xiao H Y HY Weber W J WJ Zhang Y Y Zu X T XT Li S S
Scientific reports 20150209
The response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method. All the titanate pyrochlores are found to undergo a crystalline-to-amorphous structural transition under a low concentration of electronic excitations. The transition temperature at which structural amorphization starts to occur depends on the concentration of electronic excitations. During the structural transition, O2-like molecules are for ...[more]