Unexpected Carrier Mobility Anisotropy in the Two-dimensional Ca2Si Monolayer from First-principles

来源 :结构化学 | 被引量 : 0次 | 上传用户:q546609271
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Development of the nano-electronics requires materials with both high carrier mobility and a sufficiently large electronic band gap.In this work,by means of ab initio calculations,we have predicted a new 2D Ca2Si monolayer with a quasi-planar hexa-coordinate structure.The geometrical structure,stability and electronic properties ofCa2Si monolayer have been systemically investigated.The Ca2Si monolayer is an indirect semiconductor with band gap of about 0.77 eV,which exhibits stable chemical bonding interactions as well as thermal and dynamic stability.Moreover,the carrier mobility in Ca2Si monolayer is electron dominated with a high electron mobility about 4590.47 cm2.V1.s-1.It is excited that the 2D Ca2Si monolayer exhibits strong directionally anisotropic carrier mobility,which could effectively facilitate the migration and separation of the generated electron-hole pairs.Our calculations demonstrate that the 2D Ca2Si monolayer is potential for high efficiency solar cells and other nano-electronic applications.
其他文献
Design and exploratory synthesis of novel infrared nonlinear optical chalcogenides have drawn extensive concs owing to their excellent overall performance and i
A new double alkali metal borate,LiRbB8O13,has been obtained in the sealed system.Its structure consists of two kinds of independent interpenetrating 3D framewo
期刊
In this paper,DFT method was used to study the relative stability of hydrogen bonding networks of numerous 512,51262 and 435663 water cluster isomers.Herein we
期刊
1、喷施1%的尿素水溶液,每亩用0.75~1.0公斤尿素,兑水75~100公斤,充分溶解后,均匀喷在棉叶上。2、喷施1%的过磷酸钙水溶液,每亩用0.75公斤过磷酸钙,兑水75公斤,充分溶解、过滤
In the present work,creepage discharge characteristics,i.e.amplitudes,phases,and repetitiveness,and surface charge dynamic behaviors under a 20 kHz high-frequen
随着计算机、网络和移动技术的飞速发展,我们正逐渐进入新媒介时代。新媒介不仅深刻改变着新闻传播的生产机制、媒介行业的竞争格局,也深刻影响着受众接受信息的需求、行为及
Ultraviolet (UV) nonlinear optical (NLO) crystal materials are hailed as the chip of the optoelectronic industry for they play a unique and crucial role in many
A new layered yttrium iodate[Y(IO3)3(H2O)2]n (1) has been prepared from the hydrothermal reaction of Y(NO3)36H2O with I2O5 at 170 ℃,and its structure was deter