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

^*Corresponding author for this work

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

Research output: Contribution to journal › Journal Article › peer-review

9 Scopus citations

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.

Original language	English
Pages (from-to)	10803-10806
Number of pages	4
Journal	Physical Review B-Condensed Matter
Volume	52
Issue number	15
DOIs	https://doi.org/10.1103/PhysRevB.52.10803
State	Published - 1995
Externally published	Yes

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10.1103/PhysRevB.52.10803

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

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.",

author = "Yang, \{Chih Kai\} and Cheng, \{Yi Chen\} and Dy, \{Kian S.\} and Wu, \{Shi Yu\}",

year = "1995",

doi = "10.1103/PhysRevB.52.10803",

language = "英语",

volume = "52",

pages = "10803--10806",

journal = "Physical Review B-Condensed Matter",

issn = "0163-1829",

publisher = "American Institute of Physics",

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T1 - Self-consistent method for the calculation of surface electronic structure and its application to Cu(110)

AU - Yang, Chih Kai

AU - Cheng, Yi Chen

AU - Dy, Kian S.

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.

UR - https://www.scopus.com/pages/publications/0001614153

U2 - 10.1103/PhysRevB.52.10803

DO - 10.1103/PhysRevB.52.10803

M3 - 文章

AN - SCOPUS:0001614153

SN - 0163-1829

VL - 52

SP - 10803

EP - 10806

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

IS - 15

ER -

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

Abstract

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