Stellino E, Capitani F, Ripanti F, Verseils M, Petrillo C, Dore P, Postorino P
Department of Physics and Geology, University of Perugia, via Alessandro Pascoli, 06123 Perugia, Italy.
Synchrotron SOLEIL, L'Orme des Merisiers, 91190 Saint-Aubin, Gif-sur-Yvette France.
Sci Rep. 2022 Oct 15;12(1):17333. doi: 10.1038/s41598-022-22089-0.
High pressure is a proven effective tool for modulating inter-layer interactions in semiconducting transition metal dichalcogenides, which leads to significant band structure changes. Here, we present an extended infrared study of the pressure-induced semiconductor-to-metal transition in 2H-[Formula: see text], which reveals that the metallization process at 13-15 GPa is not associated with the indirect band-gap closure, occurring at 24 GPa. A coherent picture is drawn where n-type doping levels just below the conduction band minimum play a crucial role in the early metallization transition. Doping levels are also responsible for the asymmetric Fano line-shape of the [Formula: see text] infrared-active mode, which has been here detected and analyzed for the first time in a transition metal dichalcogenide compound. The pressure evolution of the phonon profile under pressure shows a symmetrization in the 13-15 GPa pressure range, which occurs simultaneously with the metallization and confirms the scenario proposed for the high pressure behaviour of 2H-[Formula: see text].
高压是调控半导体过渡金属二硫属化物层间相互作用的一种行之有效的工具,这会导致能带结构发生显著变化。在此,我们展示了对2H-[化学式:见原文]中压力诱导的半导体到金属转变的扩展红外研究,结果表明13 - 15吉帕的金属化过程与24吉帕时发生的间接带隙闭合无关。我们描绘了一幅连贯的图景,即刚好低于导带最小值的n型掺杂水平在早期金属化转变中起关键作用。掺杂水平也是[化学式:见原文]红外活性模式不对称法诺线形的原因,这是首次在过渡金属二硫属化物化合物中检测和分析到这种现象。压力下声子轮廓的压力演化在13 - 15吉帕压力范围内呈现出对称化,这与金属化同时发生,并证实了所提出的2H-[化学式:见原文]高压行为的情况。