Abstract CrSi2 is an important refractory metal-silicide with high thermal power and a narrow bandgap which makes it a suitable material for high-temperature thermoelectric applications. The present work investigates the early stages of the growth of Cr film on Si(110) and its electronic properties by combining Scanning Tunneling Microscopy and Density Functional Theory. Cr atoms deposited on Si(110) formed grains of CrSi2 with interfacial dislocations along 1 2 〈 11 − 1 〉 Burgers vectors. After annealing at 1100°C, disconnected CrSi2 crystallites emerged. The crystallites had well-defined facets. Scanning tunneling spectroscopy measurements showed that the crystallites were metallic. Simulated DOS data of the facets also confirmed the metallic nature of the crystallites.

中文翻译：

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Si(110)上的CrSi2微晶

摘要 CrSi2 是一种重要的难熔金属硅化物，具有高热功率和窄带隙特性，是一种适用于高温热电应用的材料。目前的工作通过结合扫描隧道显微镜和密度泛函理论研究了 Si(110) 上 Cr 膜生长的早期阶段及其电子特性。沉积在 Si(110) 上的 Cr 原子形成了 CrSi2 晶粒，界面位错沿 1 2 〈 11 − 1 〉 Burgers 矢量。在 1100°C 退火后，出现断开的 CrSi2 微晶。微晶具有明确的小平面。扫描隧道光谱测量表明微晶是金属的。刻面的模拟 DOS 数据也证实了微晶的金属性质。