Band theory of solidsSemiconductorsCrystal structureAtomic energy levelsDiamondsSiliconGermaniumTinModels(Simulations)After sketching the present state of theoretical energy band studies, this report concludes that band calculations based on assumed crystal potentials are somewhat out of date, and that further...
The band structure calculation is one of the basic problems in solid theory. 翻译结果2复制译文编辑译文朗读译文返回顶部 Can have the computation is one of in solids theory basic questions. 翻译结果3复制译文编辑译文朗读译文返回顶部 Energy band calculation is one of the basic problems in the theory...
Band theory of solidsElectron densityAluminumCesiumLeadLithiumThe first part of this paper deals with the jellium model of a metal surface. The theory of the inhomogeneous electron gas, with local exchange and correlation energies, is used. Self-consistent electron density distributions are obtained. ...
Band Structure of Solid Argon The 3s and 3p valence bands are treated by tight-binding theory. The potential used in the computation consists of a sum of effective atomic potentials ... RS Knox,F Bassani - 《Physical Review》 被引量: 25发表: 1961年 Photoemission from the Valence Bands of...
Energy Band Theory 来自 ResearchGate 喜欢 0 阅读量: 102 作者: SS Li 摘要: In this chapter the one-electron energy band theories for the crystalline solids are presented. The importance of energy band theories for a crystalline solid is due to the fact that many important physical and optical...
© 2019 Springer-Verlag GmbH Germany, part of Springer Nature About this entry Cite this entry Gao, X., Huang, ZP. (2019). Surface/Interfacial Energy Theory of Solids. In: Altenbach, H., Öchsner, A. (eds) Encyclopedia of Continuum Mechanics. Springer, Berlin, Heidelberg. https://doi...
摘要: Band structure parameters are calculated from overlap integrals relevant for the 3s-band of bcc sodium.关键词: band structure orbital calculation methods sodium solid theory/ A7125 Electronic structure: density of states and band structure (condensed matter) DOI: 10.1016/0009-2614(69)80111-9...
Detailed optical measurements near the band gap of the system GaP-ZnSe have provided evidence for sharp decreases in the energy band gaps for small levels of solution, here studied for compositions close to pure GaP. This is seen for both the indirect gap and the direct gap near the pure Ga...
Energy band structure calculations for poly (A-T) and poly (G-C) in the semiempirical SCF LCAO crystal orbital approximation The band structures of the periodic DNA models poly (A-T) and poly(G-C) were calculated in the semiempirical SCF LCAO Pariser-Parr-Pople crystal orbital ap... J ...
Density functional theory and the band gap problem How can the fundamental band gap of an insulator be predicted? As a difference of ground-state energies, the fundamental gap seems to fall within the reach... John,P.,Perdew - 《International Journal of Quantum Chemistry》 被引量: 179发表:...