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arXiv 1602.08906cond-mat.mes-hall
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超薄晶体光学性质的计算

Computing Optical Properties of Ultra-thin Crystals

H. Sahin, E. Torun, C. Bacaksiz, S. Horzum, J. Kang, R. T. Senger, F. M. Peeters

摘要:

综述了超薄晶体结构(石墨烯、磷烯、硅烯、MoS 2、MoSe 2、WS 2、WSe 2、h-AlN、h-BN、氟代石墨烯、石墨烷)光学性质的实验和理论研究进展。超薄晶体是原子厚度的层状晶体,具有不同于其3D对应物的独特性质。由于合成被认为是未来纳米技术的主要组成部分的几个原子厚的晶体结构的困难,对其电子,振动和光学性质的可靠理论预测非常重要。最近的研究表明,可靠的预测能力,现有的理论方法的基础上密度泛函理论(DFT)。

英文摘要:

An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2, MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, graphane). Ultra-thin crystals are atomically-thick layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory (DFT).

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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