Academic Journal
EuB_6的能带结构与成键及其光学常数的计算 ; Studies on the electronic structure and bonding of EuB6 and calculation of its optical constants
| العنوان: | EuB_6的能带结构与成键及其光学常数的计算 ; Studies on the electronic structure and bonding of EuB6 and calculation of its optical constants |
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| المؤلفون: | 姜骏, 卞江, 黎乐民 |
| المساهمون: | 北京分子科学国家实验室, 北京分子科学国家实验室 稀土材料化学及应用国家重点实验室, 北京大学化学与分子工程学院, 北京100871, 稀土材料化学及应用国家重点实验室 |
| المصدر: | 万方 ; 知网 ; SCI |
| بيانات النشر: | 高等学校化学学报 |
| سنة النشر: | 2007 |
| المجموعة: | Peking University Institutional Repository (PKU IR) / 北京大学机构知识库 |
| مصطلحات موضوعية: | EuB, EuB6, band structure, dielectric function, optical conductivity, energy-loss function, 能带结构, 介电函数, 光电导率, 能量损失函数 |
| الوصف: | 采用密度泛函方法研究了EuB6的电子结构,得到高精度能带结构和态密度分布信息;分析成键情况,从原子间轨道相互作用的角度说明EuB6能带结构的特征及其半金属性质.计算出EuB6的介电函数、反射率、光电导率和能量损失函数谱等,与实验结果一致,表明了能带计算获得的电子结构信息的可靠性. ; The electronic structure of EuB6 was studied by means of density functional method. The information of energy band structure and density of states were obtained with a higher accuracy. The bonding in EuB6 solid was studied, and the characteristics of its energy band structure and semi-metallic property were clarified based on the analysis of the orbital interaction among atoms. The dielectric function, reflectivity, optical conductivity and energy-loss function spectra were calculated. The results are in good agreement with the experiments, showing the reliability of the electronic structure information obtained by energy band calculations. ; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000251121800031&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; SCI(E) ; EI ; 中文核心期刊要目总览(PKU) ; 中国科技核心期刊(ISTIC) ; 中国科学引文数据库(CSCD) ; 1 ; 11 ; 2167-2170 ; 28 |
| نوع الوثيقة: | journal/newspaper |
| اللغة: | Chinese |
| تدمد: | 0251-0790 |
| Relation: | 高等学校化学学报.2007,(11),2167-2170.; 775401; http://hdl.handle.net/20.500.11897/212165; WOS:000251121800031 |
| DOI: | 10.3321/j.issn:0251-0790.2007.11.028 |
| الاتاحة: | https://hdl.handle.net/20.500.11897/212165 https://doi.org/10.3321/j.issn:0251-0790.2007.11.028 |
| رقم الانضمام: | edsbas.8AB37BF3 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 02510790 |
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| DOI: | 10.3321/j.issn:0251-0790.2007.11.028 |