论文标题
在共价蜂窝材料中，在扩展的马提尼晶格中的非常规无间隙的半导体
Unconventional gapless semiconductor in an extended martini lattice in covalent honeycomb materials
论文作者
论文摘要
我们在扩展的马提尼晶格模型中研究了特征电子结构，并提出了其在$π$ - 电子网络中的实现化，该网络由石墨烯和硅的指定化学吸附构建。通过研究最小的紧密结合模型，我们揭示了通过跳跃参数比率调节的丰富电子结构，从带绝缘子到非常规无间隙的半导体。值得注意的是，非常规的无间隙半导体的特征是费米级别的平坦带。此外，候选材料的密度功能理论计算表明，可以通过指定的化学吸附或石墨烯和硅硅化学替代来实现特征电子结构，并且通过选择吸附原子原子物种，费米水平附近的电子结构可以调整。我们的结果开辟了搜索奇异电子结构及其功能的方式，该结构由扩展的马提尼晶格引起。
We study characteristic electronic structures in an extended martini lattice model and propose its materialization in $π$-electron networks constructed by designated chemisorption on graphene and silicene. By investigating the minimal tight-binding model, we reveal rich electronic structures tuned by the ratio of hopping parameters, ranging from the band insulator to the unconventional gapless semiconductor. Remarkably, the unconventional gapless semiconductor is characterized by a flat band at the Fermi level. Further, the density functional theory calculations for candidate materials reveal that the characteristic electronic structures can be realized by designated chemisorption or chemical substitution on graphene and silicene, and that the electronic structure near the Fermi level is tunable by the choice of the atomic species of adsorbed atoms. Our results open the way to search exotic electronic structures and their functionalities induced by an extended martini lattice.
