CORE
🇺🇦
make metadata, not war
Services
Services overview
Explore all CORE services
Access to raw data
API
Dataset
FastSync
Content discovery
Recommender
Discovery
OAI identifiers
OAI Resolver
Managing content
Dashboard
Bespoke contracts
Consultancy services
Support us
Support us
Membership
Sponsorship
Community governance
Advisory Board
Board of supporters
Research network
About
About us
Our mission
Team
Blog
FAQs
Contact us
类单晶硅结构Si(C≡C―C6H4―C≡C)4新材料的力学与光学性质:第一性原理研究
Authors
孙铭骏
方磊
曹昕睿
曹泽星
Publication date
15 March 2018
Publisher
Abstract
基于单晶硅中Si的四面体成键特征及对其结构单元的替换修饰,我们设计了一种类单晶硅结构的新材料-C40H16Si2。通过广泛的第一性原理计算,研究了这类材料的电子性质、力学性质和光学性质。计算结果表明,这种新材料具有好的热力学稳定性和机械稳定性。该材料的禁带宽度为3.32 eV,价带底和导带顶都位于Gamma点,是直接带隙宽禁带半导体材料。该材料的维氏硬度和密度非常小,不到单晶硅的十分之一,是一类低密度的柔性多孔材料。此外,该材料在紫外光区有强的吸收,有望应用于蓝绿光发光二极管。中央高校基本科研业务费专项资金(20720150215);;国家自然科学基金(21373164,21673185)资助项目~
Similar works
Full text
Open in the Core reader
Download PDF
Available Versions
Xiamen University Institutional Repository
See this paper in CORE
Go to the repository landing page
Download from data provider
oai:dspace.xmu.edu.cn:2288/172...
Last time updated on 10/06/2020