Gonçalves P H R, Chagas Thais, Nascimento V B, Dos Reis D D, Parra Carolina, Mazzoni M S C, Malachias Ângelo, Magalhães-Paniago Rogério
Physics Department, Federal University of Minas Gerais , Avenida Presidente Antônio Carlos 6627, 31270-901, Belo Horizonte, Minas Gerais, Brazil.
Physics Institute, Federal University of Mato Grosso do Sul , Avenida Costa e Silva, S/N, 79070-900, Campo Grande, Mato Grosso do Sul, Brazil.
J Phys Chem Lett. 2018 Mar 1;9(5):954-960. doi: 10.1021/acs.jpclett.7b03172. Epub 2018 Feb 12.
The goal of this work is to study transformations that occur upon heating BiSe to temperatures up to 623 K. X-ray diffraction (XRD) and scanning tunneling microscopy (STM) and spectroscopy (STS) techniques were used in our investigation. XRD was measured following the 00L and 01L truncation rods. These measurements revealed that upon heating there is a coexistence of a major BiSe phase and other ones that present structures of quintuple-layers intercalated with Bismuth bilayers. STM measurements of the surface of this material showed the presence of large hexagonal BiSe domains embedded in a BiSe matrix. STS experiments were employed to map the local electronic density of states and characterize the modifications imposed by the presence of the additional phases. Finally, density functional theory (DFT) calculations were performed to support these findings.
这项工作的目标是研究在将BiSe加热到高达623 K的温度时发生的转变。我们的研究中使用了X射线衍射(XRD)、扫描隧道显微镜(STM)和光谱(STS)技术。XRD是沿着00L和01L截断棒进行测量的。这些测量结果表明,加热时存在主要的BiSe相和其他呈现与铋双层插层的五层结构的相的共存。对这种材料表面的STM测量显示,在BiSe基质中存在嵌入的大的六边形BiSe畴。采用STS实验来绘制局部电子态密度图,并表征由额外相的存在所施加的修饰。最后,进行了密度泛函理论(DFT)计算以支持这些发现。