低维材料中的缺陷效应与电子态调控  

Defect effects and electronic structure regulation in low-dimensional materials

作　　者：赵明文[1] 夏曰源[1] 梅良模[1] Mingwen Zhao;Yueyuan Xia;Liangmo Mei(School of Physics,Shandong University,Jinan 250100,China)

机构地区：[1]山东大学物理学院,济南250100

出　　处：《科学通报》2021年第16期1998-2009,共12页Chinese Science Bulletin

基　　金：国家自然科学基金(11774201)资助。

摘　　要：低维材料具有大的比表面积、独特的电子结构和优异性能,在新能源、信息等领域具有重要的应用前景.低维材料所具有的特殊电子态可以突破传统半导体材料的尺寸极限,是后摩尔时代重要的候选材料.如何有效地调控低维材料电子结构以满足特定功能的需要是实现这一应用的关键.本文从一维纳米管和二维层状材料中的"缺陷效应"出发,对我们课题组在低维材料电子结构调控方面的研究结果进行综述,揭示空位和吸附原子等点缺陷以及表面修饰和内部填充等对材料的电子结构、电子自旋极化和激发态特性的调控机制与规律,为低维材料在新型电子器件等领域的应用提供依据.Low-dimensional materials have been drawing increasing interest due to the unique structures and fascinating properties which are quite promising for wide-range application ranging from new energy resources to information technology.The exotic electronic states of the low-dimensional materials which arise from the quantum-confinement effects of electrons render a potential strategy to overcome the size-limitation of traditional semiconducting materials and continue the Moores’law which is difficult for the conventional bulk materials.The electronic structure modulation of low-dimensional materials to meet the relevant requirements serves as the key to reach this goal.Notably,in low-dimensional materials,the defect effects are more remarkable than those in bulk materials due to the high specific surface area and quantum confinement effects.Moreover,the compatibility of low-dimensional materials to nanoscaled devices is crucial for the next-generation device applications.Here,we focus on the role of defects in electronic structure modulation of one-(1D)and two-dimensional(2D)materials to summarize works of our group relevant to this topic in recent years.The point defects,such as vacancies and adatoms(or functional groups)are revealed to have significant contribution to the electron spin-polarization and excited states.The ferromagnetism of the metal-free materials is demonstrated in wide range of materials,such as graphite,hexagonal boron nitride and silicon carbide both theoretically and experimentally.The spin-polarization of p electrons in these materials enriches the family of ferromagnetic materials and offers a promising strategy for spintronics device applications.The hollow structure of carbon nanotubes provides an ideal platform for the study of atomic reaction,diffusion and condensation processes confined in nanospace.The electronic band structures of carbon nanotubes can be effectively regulated by encapsulating metal or hydrogen nanowires.Ultrahigh density of hydrogen nanowires can be confined inside

关 键 词：纳米管 二维材料 缺陷效应 电子态调控 第一性原理计算 

分 类 号：O469[理学—凝聚态物理]