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Identification and Manipulation of Atomic Defects in Monolayer SnSe
ACS Nano ( IF 15.8 ) Pub Date : 2024-09-05 , DOI: 10.1021/acsnano.4c04789 Chengguang Yue 1 , Zhenqiao Huang 2 , Wen-Lin Wang 1 , Zi'Ang Gao 1 , Haicheng Lin 1 , Junwei Liu 2 , Kai Chang 1
ACS Nano ( IF 15.8 ) Pub Date : 2024-09-05 , DOI: 10.1021/acsnano.4c04789 Chengguang Yue 1 , Zhenqiao Huang 2 , Wen-Lin Wang 1 , Zi'Ang Gao 1 , Haicheng Lin 1 , Junwei Liu 2 , Kai Chang 1
Affiliation
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SnSe, an environmental-friendly group-IV monochalcogenide semiconductor, demonstrates outstanding performance in various applications ranging from thermoelectric devices to solar energy harvesting. Its ultrathin films show promise in the fabrication of ferroelectric nonvolatile devices. However, the microscopic identification and manipulation of point defects in ultrathin SnSe single crystalline films, which significantly impact their electronic structure, have been inadequately studied. This study presents a comprehensive investigation of point defects in monolayer SnSe films grown via molecular beam epitaxy. By combining scanning tunneling microscopy (STM) characterization with first-principles calculations, we identified four types of atomic/molecular vacancies, four types of atomic substitutions, and three types of extrinsic defects. Notably, we have demonstrated the ability to convert a substitutional defect into a vacancy and to reposition an adsorbate by manipulating a single atom or molecule using an STM tip. We have also analyzed the local atomic displacement induced by the vacancies. This work provides a solid foundation for engineering the electronic structure of future SnSe-based nanodevices.
中文翻译：
单层 SnSe 中原子缺陷的识别和调控
SnSe 是一种环保的 IV 族单硫族化物半导体，在从热电设备到太阳能收集等各种应用中表现出出色的性能。其超薄膜在铁电非易失性器件的制造中显示出前景。然而，超薄 SnSe 单晶薄膜中点缺陷的显微识别和控制对其电子结构的显着影响尚未得到充分研究。本研究对通过分子束外延生长的单层 SnSe 薄膜中的点缺陷进行了全面的研究。通过将扫描隧道显微镜 (STM) 表征与第一原理计算相结合，我们确定了四种类型的原子/分子空位、四种类型的原子取代和三种类型的外在缺陷。值得注意的是，我们已经证明了通过使用 STM 尖端操纵单个原子或分子将替代缺陷转化为空位并重新定位吸附物的能力。我们还分析了空位引起的局部原子位移。这项工作为设计未来基于 SnSe 的纳米器件的电子结构奠定了坚实的基础。
更新日期：2024-09-05
中文翻译：
单层 SnSe 中原子缺陷的识别和调控
SnSe 是一种环保的 IV 族单硫族化物半导体，在从热电设备到太阳能收集等各种应用中表现出出色的性能。其超薄膜在铁电非易失性器件的制造中显示出前景。然而，超薄 SnSe 单晶薄膜中点缺陷的显微识别和控制对其电子结构的显着影响尚未得到充分研究。本研究对通过分子束外延生长的单层 SnSe 薄膜中的点缺陷进行了全面的研究。通过将扫描隧道显微镜 (STM) 表征与第一原理计算相结合，我们确定了四种类型的原子/分子空位、四种类型的原子取代和三种类型的外在缺陷。值得注意的是，我们已经证明了通过使用 STM 尖端操纵单个原子或分子将替代缺陷转化为空位并重新定位吸附物的能力。我们还分析了空位引起的局部原子位移。这项工作为设计未来基于 SnSe 的纳米器件的电子结构奠定了坚实的基础。
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