论文标题
探索Nite2中的本地原子缺陷
Exploring Native Atomic Defects in NiTe2
论文作者
论文摘要
Nickel ditelluride（Nite2）是一种新发现的II型狄拉克半学型，其Dirac节点靠近其费米水平，有望表现出异国情调现象，包括Lifshitz过渡和超导性。众所周知，过渡金属二核苷不可避免的缺陷，并对光学和电子特性产生重大影响。但是，仍然缺乏对NITE2缺陷的系统研究。在这里，通过系统地研究了NITE2中的高分辨率扫描隧道显微镜结合第一原理计算的结合，包括空位缺陷，互化和反塞人缺陷。我们确定了五种主要类型的天然缺陷，并揭示了生长条件可能会影响天然缺陷的类型。通过控制合成过程中成分的比率，预计要操纵点缺陷的类型，尤其是反塞缺陷。此外，我们发现天然缺陷可能会稍微涂到拓扑表面状态。我们的结果为操纵缺陷提供了一种轻松的方式，以使未来优化NITE2和其他相关材料的电子特性。
Nickel ditelluride (NiTe2), a new discovered type-II Dirac semimetal whose Dirac node lies close to its Fermi level, is expected to exhibit exotic phenomena including Lifshitz transition and superconductivity. As we know, defects are inevitable for transition metal dichalcogenides and have significant impacts on the optical and electronic properties. However, the systematic study of defects in NiTe2 is still lack. Here, by using high-resolution scanning tunneling microscopy combined with first-principles calculations, the point defects including the vacancy, intercalation and antisite defects in NiTe2 are systematically investigated. We identified five main types native defects and revealed that the growth condition could affect the type of native defects. By controlling the ratio of ingredient during synthesis, the types of point defects are expected to be manipulated, especially antisite defects. Additionally, we find native defects could slightly dope the topological surface states. Our results provide a facile way to manipulate defects for future optimizing the electronic properties of NiTe2 and other related materials.
