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Time-dependent density-functional theory molecular-dynamics study on amorphization of Sc-Sb-Te alloy under optical excitation 被引量:6
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作者 Xue-Peng Wang Xian-Bin Li +6 位作者 Nian-Ke Chen Junhyeok Bang ryky nelson Christina Ertural Richard Dronskowski Hong-Bo Sun Shengbai Zhang 《npj Computational Materials》 SCIE EI CSCD 2020年第1期1376-1380,共5页
Recently,all-optical memory and optical-computation properties of phase-change materials are receiving intensive attention.Because writing/erasing information in these devices is usually achieved by laser pulses,the i... Recently,all-optical memory and optical-computation properties of phase-change materials are receiving intensive attention.Because writing/erasing information in these devices is usually achieved by laser pulses,the interaction between the laser and the phase-change materials becomes a key issue for such new applications.In this work,by a time-dependent density-functional theory molecular-dynamics study,the physics underlying the optical excitation induced amorphization of Sc-Sb-Te is revealed,which goes back to superatom-like Sc-centered structural motifs.These motifs are found to be still robust under the excitation. 展开更多
关键词 optical EXCITATION theory
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