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第一个原则预测了重建的Si{111)-7 × 7表面的原子结构和电子性质的多样性

Yuke Song1,2, Shifang Li1,2, Peize Lin3

  • 1School of Physics and Optoelectronics, Xiangtan University, Hunan 411105, China. hechaoyu@xtu.edu.cn.

Physical chemistry chemical physics : PCCP
|February 12, 2026
PubMed
概括

这项研究揭示了 (111) 表面的新低能重建,超出了标准的二元原子堆叠断裂 (DAS) 模型. 这些多样化的结构表现出金属性质,并可以过渡到绝缘相,展示丰富的电子多样性.

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