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 |
|---|---|
| Pages (from-to) | 201-208 |
| Number of pages | 8 |
| Journal | Nuclear Inst. and Methods in Physics Research, B |
| Volume | 27 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - Jun 2 1987 |
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ASJC Scopus subject areas
- Surfaces, Coatings and Films
- Instrumentation
- Surfaces and Interfaces
Cite this
Theory of charge transfer at surfaces and interfaces. / Freeman, Arthur J; Fu, C. L.; Wimmer, E.
In: Nuclear Inst. and Methods in Physics Research, B, Vol. 27, No. 1, 02.06.1987, p. 201-208.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Theory of charge transfer at surfaces and interfaces
AU - Freeman, Arthur J
AU - Fu, C. L.
AU - Wimmer, E.
PY - 1987/6/2
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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UR - http://www.scopus.com/inward/citedby.url?scp=0022738699&partnerID=8YFLogxK
U2 - 10.1016/0168-583X(87)90021-8
DO - 10.1016/0168-583X(87)90021-8
M3 - Article
VL - 27
SP - 201
EP - 208
JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
SN - 0168-583X
IS - 1
ER -