标题：Diversity of structural and electronic properties of P-AuBr of different dimensions
作者：Dong, Yanru; Wei, Wei; Huang, Baibiao; Dai, Ying
作者机构：[Dong, Yanru; Wei, Wei; Huang, Baibiao; Dai, Ying] Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China.
通讯作者：Wei, W;Dai, Y;Wei, Wei
通讯作者地址：[Wei, W; Dai, Y]Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China.
来源：MATERIALS RESEARCH EXPRESS
关键词：P-AuBr; 2D monolayers; 1D chains; diverse properties
摘要：Three-dimensional (3D) bulk phase P-AuBr is composed of two-dimensional (2D) monolayers, which contain the arrays of one-dimensional (1D) Au-Br chains. The exfoliation energy of 0.54 Jun(-2) indicates that creating single- and few-layer P-AuBr is feasible. Layer-dependent indirect-direct band gap and metal-semiconductor transitions could be realized in P-AuBr as the layer number changes, which provides a novel concept of all-in-one devices. Furthermore, the direct band gap of AuBr monolayer can be modulated significantly by applying auxiliary strain, also resulting in the indirect- direct band gap crossover. The 1D chain AuBr shows semiconductor features, and the band gap depends on the chain number. Our results thus provide new promising choices for the next-generation functional nanomaterials due to the diversity of the structural and electronic properties of P-AuBr of different dimensions.