Defect-Selective Charge-Density-Wave Condensation in 2H-NbSe_{2}.,Physical Review Letters

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Defect-Selective Charge-Density-Wave Condensation in 2H-NbSe_{2}.
Physical Review Letters ( IF 8.1 ) Pub Date : 2020-07-13 , DOI: 10.1103/physrevlett.125.036804
Eunseok Oh ₁ , Gyeongcheol Gye ₁ , Han Woong Yeom ₁

Affiliation

Defects have been known to substantially affect quantum states of materials including charge density wave (CDW). However, the microscopic mechanism of the influence of defects is often elusive due partly to the lack of atomic scale characterization of defects themselves. We investigate native defects of a prototypical CDW material

2 H − {NbSe}_{2}

and their microscopic interaction with CDW. Three prevailing types of atomic scale defects are classified by scanning tunneling microscope, and their atomic structures are identified by density functional theory calculations as Se vacancies and Nb intercalants. Above the transition temperature, two distinct CDW structures are found to be induced selectively by different types of defects. This intriguing phenomenon is explained by competing CDW ground states and local lattice strain fields induced by defects, providing a clear microscopic mechanism of the defect-CDW interaction.

中文翻译：

2H-NbSe_ {2}中的缺陷选择电荷密度波凝结。

已知缺陷会实质上影响包括电荷密度波（CDW）在内的材料的量子态。但是，缺陷影响的微观机制常常难以捉摸，部分原因是缺陷本身缺乏原子尺度的表征。我们调查原型CDW材料的固有缺陷

2 H - {铌硒}_{2}

以及它们与CDW的微观相互作用。通过扫描隧道显微镜对三种主要类型的原子尺度缺陷进行分类，并通过密度泛函理论计算将其原子结构鉴定为Se空位和Nb嵌入剂。在转变温度以上，发现两种不同的CDW结构被不同类型的缺陷选择性地诱导。有趣的现象是由缺陷引起的CDW基态和局部晶格应变场竞争引起的，从而为缺陷CDW相互作用提供了清晰的微观机制。

更新日期：2020-07-13

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