黑磷
准粒子
双层
带隙
物理
电子能带结构
从头算
紧密结合
凝聚态物理
电子结构
材料科学
量子力学
光电子学
化学
生物化学
超导电性
膜
作者
А. Н. Руденко,Mikhail I. Katsnelson
出处
期刊:Physical Review B
[American Physical Society]
日期:2014-05-27
卷期号:89 (20)
被引量:590
标识
DOI:10.1103/physrevb.89.201408
摘要
By performing \emph{ab initio} calculations for one- to four-layer black phosphorus within the $GW$ approximation, we obtain a significant difference in the band gap ($\sim$1.5 eV), which is in line with recent experimental data. The results are analyzed in terms of the constructed four-band tight-binding model, which gives accurate descriptions of the mono- and bilayer band structure near the band gap, and reveal an important role of the interlayer hoppings, which are largely responsible for the obtained gap difference.
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