Theory of charge transfer at surfaces and interfaces

A. J. Freeman; C. L. Fu; E. Wimmer

doi:10.1016/0168-583X(87)90021-8

Theory of charge transfer at surfaces and interfaces

A. J. Freeman^*, C. L. Fu, E. Wimmer

^*Corresponding author for this work

Physics and Astronomy

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

2 Scopus citations

Abstract

Surfaces and interfaces are important for both science and technology. Stimulated and challenged by sophisticated experimental techniques applied to their study on well prepared and characterized materials, theory - especially local density electronic structure theory - has responded in what may be called a dramatic fashion. This paper describes some aspects of the present state of self-consistent all-electron local density theory for treating surfaces, interfaces and overlayers. Following a review of the methodology, results of detailed calculations on representative specific systems are presented which illustrate the important role of charge transfer; the understanding acquired from these studies will be described and discussed.

Original language	English (US)
Pages (from-to)	201-208
Number of pages	8
Journal	Nuclear Inst. and Methods in Physics Research, B
Volume	27
Issue number	1
DOIs	https://doi.org/10.1016/0168-583X(87)90021-8
State	Published - Jun 2 1987

Funding

Work at Northwestern University was supported by the National Science Foundation (Grant No. DMR85-18607) and the Office of Naval Research, (Grant No. N0014-81-K-0438).

ASJC Scopus subject areas

Nuclear and High Energy Physics
Instrumentation

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10.1016/0168-583X(87)90021-8

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abstract = "Surfaces and interfaces are important for both science and technology. Stimulated and challenged by sophisticated experimental techniques applied to their study on well prepared and characterized materials, theory - especially local density electronic structure theory - has responded in what may be called a dramatic fashion. This paper describes some aspects of the present state of self-consistent all-electron local density theory for treating surfaces, interfaces and overlayers. Following a review of the methodology, results of detailed calculations on representative specific systems are presented which illustrate the important role of charge transfer; the understanding acquired from these studies will be described and discussed.",

author = "Freeman, {A. J.} and Fu, {C. L.} and E. Wimmer",

note = "Funding Information: Work at Northwestern University was supported by the National Science Foundation (Grant No. DMR85-18607) and the Office of Naval Research, (Grant No. N0014-81-K-0438).",

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AU - Freeman, A. J.

AU - Fu, C. L.

AU - Wimmer, E.

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Y1 - 1987/6/2

N2 - Surfaces and interfaces are important for both science and technology. Stimulated and challenged by sophisticated experimental techniques applied to their study on well prepared and characterized materials, theory - especially local density electronic structure theory - has responded in what may be called a dramatic fashion. This paper describes some aspects of the present state of self-consistent all-electron local density theory for treating surfaces, interfaces and overlayers. Following a review of the methodology, results of detailed calculations on representative specific systems are presented which illustrate the important role of charge transfer; the understanding acquired from these studies will be described and discussed.

AB - Surfaces and interfaces are important for both science and technology. Stimulated and challenged by sophisticated experimental techniques applied to their study on well prepared and characterized materials, theory - especially local density electronic structure theory - has responded in what may be called a dramatic fashion. This paper describes some aspects of the present state of self-consistent all-electron local density theory for treating surfaces, interfaces and overlayers. Following a review of the methodology, results of detailed calculations on representative specific systems are presented which illustrate the important role of charge transfer; the understanding acquired from these studies will be described and discussed.

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Theory of charge transfer at surfaces and interfaces

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