Self-consistent method for the calculation of surface electronic structure and its application to Cu(110)

Chih Kai Yang; Yi Chen Cheng; Kian S. Dy; Shi Yu Wu

doi:10.1103/PhysRevB.52.10803

Self-consistent method for the calculation of surface electronic structure and its application to Cu(110)

Chih Kai Yang^*
, Yi Chen Cheng
, Kian S. Dy
, Shi Yu Wu

^*此作品的通信作者

Chang Gung University
National Taiwan University
University of North Carolina at Chapel Hill
University of Louisville

研究成果: 期刊稿件 › 文章 › 同行評審

9 引文斯高帕斯（Scopus）

摘要

We develop a real-space method for the calculation of surface electronic structure. The approach is based on the linear muffin-tin orbitals and recursive Green's-function methods and can achieve self-consistency efficiently. As an application, the local density of states of Cu(110) atoms is calculated. The charge transfer between layers close to the surface is presented. We also derive the work function, which is in good agreement with experimental values.

原文	英語
頁（從 - 到）	10803-10806
頁數	4
期刊	Physical Review B-Condensed Matter
卷	52
發行號	15
DOIs	https://doi.org/10.1103/PhysRevB.52.10803
出版狀態	已出版 - 1995
對外發佈	是

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abstract = "We develop a real-space method for the calculation of surface electronic structure. The approach is based on the linear muffin-tin orbitals and recursive Green's-function methods and can achieve self-consistency efficiently. As an application, the local density of states of Cu(110) atoms is calculated. The charge transfer between layers close to the surface is presented. We also derive the work function, which is in good agreement with experimental values.",

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AU - Yang, Chih Kai

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AU - Wu, Shi Yu

PY - 1995

Y1 - 1995

N2 - We develop a real-space method for the calculation of surface electronic structure. The approach is based on the linear muffin-tin orbitals and recursive Green's-function methods and can achieve self-consistency efficiently. As an application, the local density of states of Cu(110) atoms is calculated. The charge transfer between layers close to the surface is presented. We also derive the work function, which is in good agreement with experimental values.

AB - We develop a real-space method for the calculation of surface electronic structure. The approach is based on the linear muffin-tin orbitals and recursive Green's-function methods and can achieve self-consistency efficiently. As an application, the local density of states of Cu(110) atoms is calculated. The charge transfer between layers close to the surface is presented. We also derive the work function, which is in good agreement with experimental values.

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U2 - 10.1103/PhysRevB.52.10803

DO - 10.1103/PhysRevB.52.10803

M3 - 文章

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SN - 0163-1829

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JO - Physical Review B-Condensed Matter

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IS - 15

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Self-consistent method for the calculation of surface electronic structure and its application to Cu(110)

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