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Surface structures of GaAs(110)

 

作者: Zhang Kai‐Ming,   Yeh Ling,  

 

期刊: Journal of Vacuum Science and Technology  (AIP Available online 1980)
卷期: Volume 17, issue 1  

页码: 506-508

 

ISSN:0022-5355

 

年代: 1980

 

DOI:10.1116/1.570495

 

出版商: American Vacuum Society

 

关键词: GALLIUM ARSENIDES;SURFACES;RELAXATION;SIMULATION;EHMO CALCULATIONS;MOLECULAR ORBITAL METHOD;VARIATIONAL METHODS;PHOTOELECTRON SPECTROSCOPY;ENERGY−LEVEL DENSITY;HAMILTONIANS;MATRIX ELEMENTS

 

数据来源: AIP

 

摘要:

The rotational relaxation of the GaAs(110) surface is considered. A cluster model is used fo simulating the crystal surface, and some quasi‐atoms are added in order to saturate the dangling bonds in the cluster boundary. The stable relaxation geometry of the GaAs(110) surface is determined by minimizing the total energy of the cluster calculated by the Extended Hückel Method. According to the calculation, a value of 18° for the tilted angle of the surface bond is suggested which is in fairly good agreement with that given by the partial yield photoelectron spectroscopy. The density of states for the cluster is also calculated, it is shown that for this relaxation model there are no empty cation states existing within the band gap.

 

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