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Electronic structure and effective mass of pristine and Cl-doped CsPbBr_(3): 《Chinese Physics B》2024年第5期167-171,共5页魏志远魏愉昊徐申东彭舒婷 Makoto Hashimoto 路东辉潘旭匡泯泉肖正国何俊峰; Project supported by the International Partnership Program of the Chinese Academy of Sciences(Grant No.123GJHZ2022035MI);the Fundamental Research Funds for the Central Universities(Grant Nos.WK3510000015 and WK3510000012)。; Organic–inorganic lead halide perovskites(LHPs) have attracted great interest owing to their outstanding optoelectronic properties.Typically,the underlying electronic structure would determinate the physical properti...; 关键词：lead halide perovskites electronic structure effective mass

Single crystal growth and electronic structure of Rh-doped Sr_(3)Ir_(2)O_(7): 《Chinese Physics B》2023年第8期86-90,共5页王冰倩彭舒婷欧志鹏王宇晨 Muhammad Waqas 罗洋魏志远淮琳崴沈建昌缪宇孙秀鹏殷月伟何俊峰; supported by the USTC start-up fund;the National Natural Science Foundation of China(Grant Nos.12074358 and 12004363);the Fundamental Research Funds for the Central Universities(Grant Nos.WK3510000008 and WK2030000035);the Innovation Program for Quantum Science and Technology(Grant No.2021ZD0302802);supported by the U.S.Department of Energy,Office of Science,Office of Basic Energy Sciences under Contract No.DEAC02-76SF00515。; Ruddlesden-Popper iridate Sr_(3)Ir_(2)O_(7)is a spin-orbit coupled Mott insulator.Hole doped Sr_(3)Ir_(2)O_(7)provides an ideal platform to study the exotic quantum phenomena that occur near the metal-insulator transi...; 关键词：hole doped iridate single crystal growth metal-insulator transition angle-resolved photoemission spectroscopy(ARPES)

The point defect and electronic structure of K doped LaCo_(0.9)Fe_(0.1)O_(3)perovskite with enhanced microwave absorbing ability被引量：13: 《Nano Research》2022年第4期3720-3728,共9页Fan Wang Weihua Gu Jiabin Chen Yue Wu Ming Zhou Shaolong Tang Xingzhong Cao Peng Zhang Guangbin Ji; We are thankful for the financial support from the National Nature Science Foundation of China(No.51971111).; ABO_(3)perovskites,owning unique properties,have great research prospect in electromagnetic wave absorption field.Normally,doping can significantly regulate the dielectric loss,whereas the magnetic loss can be ignored...; 关键词：microwave absorption perovskites DOPING effective bandwidth point defect

First-principles investigation on stability and electronic structure of Sc-dopedθ′/Al interface in Al−Cu alloys被引量：6: 《Transactions of Nonferrous Metals Society of China》2021年第11期3342-3355,共14页Dong-lan ZHANG Jiong WANG Yi KONG You ZOU Yong DU; the financia supports from the National Key Research and Development Program of China (No. 2019YFB2006500);the National Natura Science Foundation of China (Nos. 52171024 51771234, 51601228)。; The properties of Sc-dopedθ′(Al_(2)Cu)/Al interface in Al−Cu alloys were investigated by first-principles calculations.Sc-doped semi-coherent and coherentθ′(Al_(2)Cu)/Al interfaces(Sc doped in Al slab(S1 site),Sc ...; 关键词：Al−Cu alloys Sc-dopedθ′/Al interface interfacial bonding strength electronic structure

The Influence of Alkaline Earth Elements on Electronic Properties ofα-Si3N4 via DFT Calculation: 《Journal of Wuhan University of Technology(Materials Science)》2020年第5期863-871,共9页ZHANG Jianwen HUANG Zhifeng YIN Ziqian LI Meijuan CHEN Fei SHEN Qiang; Funded by National Key Research and Development Program of China(No.2017YFB0310400);the National Natural Science Foundation of China(Nos.51872217,51932006,51972246 and 51521001);Fundamental Research Funds for the Central Universities in China;State Key Laboratory of Advanced Electromagnetic Engineering and Technology(Huazhong University of Science and Technology),the Joint Fund(No.6141A02022255);the Major Program of the Specialized Technological Innovation of HuBei Province,China(No.2019AFA176);the“111”Project(No.B13035)。; We used density functional theory(DFT)calculations to study the influence of alkali earth metal element(AE)doping on the crystal structure and electronic band structure ofα-Si3N4.The diversity of atomic radii of alka...; 关键词：FIRST-PRINCIPLES density functional theory calculations alkaline earth elements dopedα-Si3N4 photoluminescence material crystal structure electronic structure

Electronic Structure and Optical Properties of K2Ti6O13 Doped with Transition Metal Fe or Ag被引量：1: 《Chinese Journal of Chemical Physics》2018年第3期318-324,368,共8页Heng-li Chen Hong-yan Lu Yu-min Qi Peng Jin; Based on the experimental study of the optical properties of K2Ti6O13 doped with Fe or Ag,their electronic structures and optical properties are studied by the first-principles method based on the density functional t...; 关键词：FIRST-PRINCIPLES DOPING ELECTRONIC structures OPTICAL properties

Electronic Structure and Visible-Light Absorption of Transition Metals(TM=Cr,Mn, Fe, Co) and Zn-Codoped SrTiO_(3): a First-Principles Study: 《Chinese Physics Letters》2018年第1期72-75,共4页Yue-Qin Wang Yin Liu Ming-Xu Zhang Fan-Fei Min; Supported by the National Natural Science Foundation of China under Grant No 51474011;the Postdoctoral Science Foundation of China under Grant No 2014M550337;the Key Technologies R&D Program of Anhui Province of China under Grant No1604a0802122; First-principles calculations are performed on the influence of transition metal(TM=Cr,Mn,Fe,Co)as codopants on the electronic structure and visible-light absorption of Zn-doped Sr TiO_(3).The calculated results show ...

First-principle study of electronic structure and optical properties of Au-doped VO2: 《Journal of Central South University》2017年第2期270-275,共6页黄德伟赵翠华陈建华李玉琼李伟洲; Project(2014GXNSFAA118342)supported by Guangxi Natural Science Foundation,China;Project supported by Open Foundation of Guangxi Key Laboratory for Advanced Materials and Manufacturing Technology,China;Project supported by High-level Innovation Team and Outstanding Scholar Program in Guangxi Colleges(the second batch),China; The electronic structure and optical properties of VO2 and Au-VO2 were studied using density functional theory. The calculation results show that the interaction between Au and O is stronger than that between V and O....; 关键词：Au-VO2 electronic structure optical property FIRST-PRINCIPLE

Influence of tension-twisting deformations and defects on optical and electrical properties of B,N doped carbon nanotube superlattices被引量：1: 《Journal of Semiconductors》2016年第6期33-38,共6页刘贵立姜艳宋媛媛周爽王天爽; supported by the National Natural Science Foundation of China(No.51371049);the Natural Science Foundation of Liaoning Province(No.20102173); As the era of nanoelectronics is dawning,CNT（carbon nanotube）,a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical prop...; 关键词：B and N doped carbon nanotubes defects tension-twisting deformation electronic structure optical properties

Electronic structure and optical properties of F-doped β-Ga_2O_3 from first principles calculations被引量：2: 《Journal of Semiconductors》2016年第4期17-23,共7页闫金良曲崇; Project supported by the Innovation Project of Shandong Graduate Education,China(No.SDYY13093);the National Natural Science Foundation of China(No.10974077); The effects of F-doping concentration on geometric structure, electronic structure and optical property of β-GaOwere investigated. All F-doped β-GaOwith different concentrations are easy to be formed under Ga-rich c...; 关键词：semiconductor electronic structure optical property F-doped β-Ga_2O_3

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