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arXiv 2001.10985cond-mat.mtrl-sciphysics.chem-ph
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工程金属-氧化SiC表面上的$sp_{xy}$狄拉克带

Engineering metal-$sp_{xy}$ Dirac bands on the oxidized SiC surface

F. Crasto de Lima, R. H. Miwa

摘要:

构建2D系统的能力,超越了材料的自然形成,丰富了新现象的搜索和控制能力。例如,通过扫描隧道显微镜在金属表面上合成空位的拓扑晶格。在本研究中,我们表明,在碳化硅上的硅酸盐adlayer囚禁的金属原子是一个有趣的晶格设计的平台,提供了一个地面上的绝缘衬底上的实验构建紧束缚模型。基于密度泛函理论,我们研究了镶嵌在二氧化硅吸附层中的二维金属晶格的能量和电子性质。我们表明,这些晶格的特征带结构由表面态诱导的金属-$s$轨道耦合的主机-$p_{xy}$状态,从而产生$sp_{xy}$狄拉克带整齐地躺在半导体衬底的能隙内。

英文摘要:

The ability to construct 2D systems, beyond materials natural formation, enriches the search and control capability of new phenomena. For instance, the synthesis of topological lattices of vacancies on metal surfaces through scanning tunneling microscopy. In the present study we demonstrate that metal atoms encaged in silicate adlayer on silicon carbide is an interesting platform for lattices design, providing a ground to experimentally construct tight-binding models on an insulating substrate. Based on the density functional theory, we have characterized the energetic and the electronic properties of 2D metal lattices embedded in the silica adlayer. We show that the characteristic band structures of those lattices are ruled by surface states induced by the metal-$s$ orbitals coupled by the host-$p_{xy}$ states; giving rise to $sp_{xy}$ Dirac bands neatly lying within the energy gap of the semiconductor substrate.

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