发展基于Exact Muffin-Tin轨道的第一性原理量子输运方法

11874265
2018
A2003.凝聚态物质输运性质
柯友启
面上项目
研究员
上海科技大学
64万元
量子输运;非平衡态格林函数方法;Muffin-Tin轨道方法;Exact;第一性原理方法
2019-01-01到2022-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
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序号 标题 类型 作者
1 Strong interlayer excitons in PtSe2/ZrS2 van der Waals heterobilayer 期刊论文 Xiang Longjun;Zhang Qingyun;Ke Youqi
2 First-principles nonequilibrium dynamical cluster theory for quantum transport simulations of disordered nanoelectronic devices 期刊论文 Zhang Yu;Zhai Jianxiong;Chen Zhiyi;Zhang Qingyun;Ke Youqi
3 Exact muffin-tin orbital based fully relativistic simulation of device materials: Electronic charge and spin current 期刊论文 Chen Zhiyi;Zhang Qingyun;Zhang Yu;Wang Lei;Sang Mankun;Ke Youqi
4 Mean-field approach for Anderson-type off-diagonal disorder 期刊论文 Qi Wei;Jianxiong Zhai;Zhijun Ning;Youqi Ke
5 Exact muffin tin orbital based first-principles method for electronic-structure and electron-transport simulation of device materials 期刊论文 Zhang Qingyun;Yan Jiawei;Zhang Yu;Ke Youqi
6 Tunable giant Rashba-type spin splitting in PtSe2/MoSe2 heterostructure 期刊论文 Xiang Longjun;Ke Youqi;Zhang Qingyun
7 Direct comparison of auxiliary and itinerant coherent potential approximations for disordered lattice vibration: Phonon spectral and transport properties 期刊论文 Zhai Jianxiong;Xue Rui;Cheng Zihan;Ke Youqi
8 Giant Influence of Clustering and Anti-Clustering of Disordered Surface Roughness on Electronic Tunneling 期刊论文 Yu Zhang;Qingyun Zhang;Youqi Ke;Ke Xia
9 Theoretical Study of Using Kinetics Strategy to Enhance the Stability of Tin Perovskite 期刊论文 Wei Qi;Ke Youqi;Ning Zhijun
10 Giant Spin Splitting in Chiral Perovskites Based on Local Electrical Field Engineering 期刊论文 Wei Qi;Zhang Qingyun;Xiang Longjun;Zhang Shihao;Liu Jianpeng;Yang Xiaoyu;Ke Youqi;Ning Zhijun
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