堆积
范德瓦尔斯力
材料科学
凝聚态物理
纳米线
单层
密度泛函理论
叠加断层
化学物理
结晶学
纳米技术
计算化学
化学
物理
分子
有机化学
作者
Eli Sutter,Hannu‐Pekka Komsa,Alexander A. Puretzky,Raymond R. Unocic,Peter Sutter
出处
期刊:ACS Nano
[American Chemical Society]
日期:2022-11-22
卷期号:16 (12): 21199-21207
被引量:18
标识
DOI:10.1021/acsnano.2c09172
摘要
alloys). Computations demonstrate that, similar to monochalcogenide monolayers, the inserted A-layers should show a spontaneous electric polarization with a switching barrier consistent with a Curie temperature above room temperature. Second-harmonic generation signals are consistent with a variable density of stacking faults along the wires. Our results point to possible routes for designing ferroelectrics via the layer stacking in van der Waals crystals.
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