费米能级
凝聚态物理
物理
掺杂剂
费米能量
兴奋剂
望远镜
材料科学
量子力学
电子
作者
Moritz M. Hirschmann,Johannes Mitscherling
标识
DOI:10.1103/physrevmaterials.8.014201
摘要
Two common difficulties in the design of topological quantum materials are that the desired features lie too far from the Fermi level and are spread over a too-large energy range. Doping-induced states at the Fermi level provide a solution, where nontrivial topological properties are enforced by the doping-reduced symmetry. To show this, we consider a regular placement of dopants in a lattice of space group (SG) 176 (${P6}_{3}/m$), which reduces the symmetry to SG 143 ($P3$). Our two- and four-band models feature double Weyl points, Chern bands, Van Hove singularities, nontrivial multiband quantum geometry due to mixed orbital character, and singular flat bands. We relate these features to density-functional theory (DFT) calculations for dopant and vacancy bands of lead apatite ${\mathrm{Pb}}_{10}{({\mathrm{PO}}_{4})}_{6}\mathrm{O}$ and ${\mathrm{Pb}}_{10}{({\mathrm{PO}}_{4})}_{6}{(\mathrm{OH})}_{2}$, the van der Waals ferromagnet ${\mathrm{Cr}}_{2}{\mathrm{Ge}}_{2}{\mathrm{Te}}_{6}$, the semiconductor SiC, and the 2D dichalcogenide ${\mathrm{MoS}}_{2}$.
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