摘要
基于密度泛函理论的第一性原理平面波超软赝势方法,建立SnO2超晶胞模型并进行几何结构优化,对其能带结构进行了模拟计算.结果显示,导带底和价带顶位于G点处,表明SnO2是一种直接带隙半导体.同时,采用脉冲激光沉积法分别在蓝宝石衬底和Si衬底上制备出SnO2薄膜及n-SnO2/p-Si异质结.扫描电镜结果表明,SnO2薄膜晶粒均匀.霍尔测试结果表明,SnO2薄膜载流子浓度高达1.39×1 020 cm-3.吸收谱测试表明,SnO2薄膜光学带隙为3.73 eV.n-SnO2/p-Si异质结的I-V曲线显示出其良好的整流特性.
Based on first-principles DFT plane-wave pseudopotential method , Establish a SnO 2 supercell model and optimize its geometry structure , then calculate for its band structure .The results show that bottom of the conduction band and top of the valence band are located at the point G , SnO2 is a direct band gap semiconductor .The sap-phire substrate and Si substrate of the SnO 2 films were prepared by pulsed laser deposition , and then the n-SnO2/p-Si heterojunction was prepared .Scanning electron microscope result shows that crystal grains evenly of SnO 2 films. Hall effect measurement result shows that the carrier concentration up to 1.39 ×1020 cm-3 .Ultraviolet-visible ab-sorption result shows that SnO 2 films have an optical band gap of about 3.73 eV.The I-V Curves of n-SnO2/p-Si heterojunction shows its good rectifying properties .
出处
《华南师范大学学报（自然科学版）》
CAS
北大核心
2014年第5期45-48,共4页
Journal of South China Normal University(Natural Science Edition)
基金
国家自然科学基金(11204090)
广东省自然科学基金(S2011010001758)
广东省高等学校科技创新项目(2013KJCX0050)
广东省科技计划项目(2012B010400005
2011B010400022)
广州市珠江科技新星专项(2012J2200031)
广州市越秀区产学研项目(2013-CY-007
2012-TP-002)
广州市天河区科技计划项目(116ZH069)
