ELECTRONIC_STRUCTURE

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Influence of Local Cation Order on Electronic Structure and Optical Properties of Cation-Disordered Semiconductor AgBiS_(2)
《Chinese Physics Letters》2024年第10期61-69,共9页Xiaoyu Wang Muhammad Faizan Yuhao Fu Kun Zhou Yilin Zhang Xin He David J.Singh Lijun Zhang 
supported by the National Natural Science Foundation of China(Grant Nos.62125402,22090044,and 12350410372);the National Key Research and Development Program of China(Grant No.2022YFA1402501);Graduate Innovation Fund of Jilin University(Grant No.2022118)。
Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and detrimentally.However,the uncertain local order and structure pose a challenge for ex...
关键词：stability structure ORDERED 
Electronic Structure of the Weak Topological Insulator Candidate Zintl Ba_(3)Cd_(2)Sb_(4)
《Chinese Physics Letters》2023年第4期44-49,共6页黄杰瑞 张坦 徐升 饶志成 李佳俊 刘俊德 高顺业 黄耀波 朱文亮 夏天龙 翁红明 钱天 
supported by the National Key R&D Program of China(Grant Nos.2022YFA1403800,2018YFA0305700,and 2019YFA0308602);the Chinese Academy of Sciences(Grant Nos.QYZDB-SSW-SLH043,XDB33000000,and XDB28000000);the National Natural Science Foundation of China (Grant Nos.U22A600018,U1832202,12074425,11874422,11925408,11921004,and 12188101);the Informatization Plan of Chinese Academy of Sciences (Grant No.CAS-WX2021SF-0102);the Synergetic Extreme Condition User Facility (SECUF)。
One of the greatest triumph of condensed matter physics in the past ten years is the classification of materials by the principle of topology.The existence of topological protected dissipationless surface state makes ...
关键词：properties TOPOLOGICAL RARE 
Temperature Dependence of the Electronic Structure of Ca_(3)Cu_(2)O_(4)Cl_(2) Mott Insulator
《Chinese Physics Letters》2022年第1期36-39,共4页Haiwei Li Shusen Ye Jianfa Zhao Changqing Jin Yayu Wang 
supported by the National Key Research and Development Program of China (Grant No. 2017YFA0302900);the Basic Science Center Project of the National Natural Science Foundation of China (Grant No. 51788104);supported in part by the Beijing Advanced Innovation Center for Future Chip (ICFC)。
We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca_(3)Cu_(2)O_(4)Cl_(2) parent Mott insulator of cuprates. It is found that the upper Hubbard band moves towards the F...
关键词：unchanged FASTER INSULATOR 
Configuration Interaction of Electronic Structure and Spectroscopy of AlH and Its Cation
《Chinese Physics Letters》2021年第4期40-45,共6页Shu-Tao Zhao Jun Li Rui Li Shuang Yin Hui-Jie Guo 
the National Natural Science Foundation of China(Grant No.11604052);the Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.135109223);the Natural Science Research Project of the Education Department of Anhui Province,China(Grant No.KJ2020A0544);the Anhui Provincial Natural Science Foundation,China(Grant No.1908085ME150);the Excellent Youth Talent Project of the Education Department of Anhui Province,China(Grant No.gxyq ZD2019046);the key Program of Excellent Youth Talent Project of Fuyang Normal University,China(Grant No.rcxm201801)。
We carry out a detailed study of the low-lying states of AlH and AlH^(+),using a multireference configuration interaction method.Based on the computed potential energy curves,the spectroscopic constants of bound A-S s...
关键词：method. VIBRATIONAL DIPOLE 
Quantum Oscillations and Electronic Structure in the Large-Chern-Number Topological Chiral Semimetal PtGa
《Chinese Physics Letters》2020年第10期103-107,共5页Sheng Xu Liqin Zhou Xiao-Yan Wang Huan Wang Jun-Fa Lin Xiang-Yu Zeng Peng Cheng Hongming Weng Tian-Long Xia 
Supported by the National Key Research and Development Program of China(Grant Nos.2019YFA0308602, 2018YFA0305700 and 2016YFA0300600);the National Natural Science Foundation of China(Grant Nos.11874422 and 11574391);the Fundamental Research Funds for the Central Universities;the Research Funds of Renmin University of China(Grant Nos.19XNLG18 and 18 XNLG14);the Chinese Academy of Sciences(Grant No.XDB28000000);the Science Challenge Project(Grant No.TZ2016004);the K.C.Wong Education Foundation(Grant No.GJTD-2018-01);the Beijing Municipal Science&Technology Commission(Grant No.Z181100004218001);the Beijing Natural Science Foundation(Grant No.Z180008)
We report the magnetoresistance(MR),de Haas-van Alphen(dHvA) oscillations and the electronic structures of single-crystal PtGa.The large unsaturated MR is observed with the magnetic field B ‖ [111].Evident dHvA oscil...
关键词：doubling CHIRAL EXCITATION 
Electronic Structure and Optical Property Calculation of an Oxygen Vacancy in NH_4H_2PO_4 Crystals
《Chinese Physics Letters》2019年第3期78-81,共4页Baoan Liu Suye Yu Xiangcao Li Xin Ju 
Supported by the National Natural Science Foundation of China under Grant No 51402173;the Fundamental Research Funds for the Central Universities under Grant No FRF-TP-15-099A1;the Funding Project of China Scholarship Council under Grant No 201806465071
The electronic structure of perfect ammonium dihydrogen phosphate(ADP) and defective ADP with an oxygen(O) vacancy are calculated by screened-exchange hybrid density functional HSE06. The optimized structural paramete...
关键词：Electronic PROPERTY CALCULATION 
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 ...
CONDENSED MATTER： ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES
《Chinese Physics Letters》2017年第8期121-124,共4页贺泽龙 白继元 叶树江 李立 李春霞 
Supported by the National Natural Science Foundation of China under Grant Nos 11447132 and 11504042, the Natural Science Foundation of Heilongjiang Province under Grant No A201405, Chongqing Science and Technology Commission Project under Grant Nos cstc2014jcyjA00032 and cstc2016jcyjA1158, and the Scientific Research Project for Advanced Talents of Yangtze Normal University under Grant No 2017KYQD09.
Using the non-equilibrium Keldysh Green＇s function technique, we investigate electron transport properties of a system consisting of multiple three-quantum-dot rings. The conductance as a function of the electron ene...
In Situ Electronic Structure Study of Epitaxial Niobium Thin Films by Angle-Resolved Photoemission Spectroscopy被引量：1
《Chinese Physics Letters》2017年第7期232-236,共5页向兀 刘吉山 李明颖 杨海峰 刘正太 樊聪聪 沈大伟 王镇 刘志 
Supported by the National Key Research and Development Program of China under Grant No 2016YFA0300204;the National Natural Science Foundation of China under Grant Nos 11274332,11574337,11404360 and 11227902;the Natural Science Foundation of Shanghai under Grant No 14ZR1447600;the Strategic Priority Research Program(B) of the Chinese Academy of Sciences under Grant No XDB04040300;the Youth Innovation Promotion Association CAS
High-quality single crystalline niobium films are grown on a-plane sapphire in molecular beam epitaxy. The film is single crystalline with a （110） orientation, and both the rocking curve and the reflection high-ener...
关键词：ARPES RHEED 
Electronic Structure and Thermoelectric Power Factor of Na_xCoO_2 from First-Principles Calculation
《Chinese Physics Letters》2017年第3期103-106,共4页路朋献 赵瑞霞 
Supported by the Science Foundation of Henan University of Technology under Grant No 2015XTCX10
To investigate the relationship between the electronic structure and the power factor of Nax CoO2 （x = 0.3, 0.5 and 1.0）, the first-principles calculation is conducted by using density functional theory and the semi...
关键词：NA Co SEEBECK 
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