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Title: Electronic structure, charge transfer and bonding in intermetallics using EELS and density functional theory[Electron Energy Loss Spectroscopy]

Abstract

Electron energy loss spectroscopy and density functional theory have been used to show that there is a covalent component to the bonding in NiAl, CoAl and FeAl, between the transition metal atom and Al. There is no charge transfer and no ionic component to the bonding in NiAl and probably not in CoAl and FeAl. The bonding is non-stoichiometric NiAl is studied. Preliminary results are given for a {Sigma}{sub 3} boundary in NiAl.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Univ. of Cambridge (GB)
OSTI Identifier:
20001675
Report Number(s):
CONF-981104-
ISBN 1-55899-458-0; ISSN 1067-9995; TRN: IM0001%%112
Resource Type:
Conference
Resource Relation:
Conference: High-Temperature Ordered Intermetallic Alloys VIII, Materials Research Society Symposium Proceedings, Boston, MA (US), 11/30/1998--12/03/1998; Other Information: PBD: 1999; Related Information: In: High-temperature ordered intermetallic alloys VIII. Materials Research Society symposium proceedings: Volume 552, by George, E.P.; Mills, M.J.; Yamaguchi, Masaharu [eds.], [600] pages.
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ELECTRONIC STRUCTURE; NICKEL ALLOYS; COBALT ALLOYS; IRON ALLOYS; ALUMINIUM ALLOYS; INTERMETALLIC COMPOUNDS; CHEMICAL BONDS; COVALENCE; ENERGY-LOSS SPECTROSCOPY; QUANTUM MECHANICS; EXPERIMENTAL DATA

Citation Formats

Humphreys, C J, Botton, G A, Pankhurst, D A, Keast, V J, and Temmerman, W M. Electronic structure, charge transfer and bonding in intermetallics using EELS and density functional theory[Electron Energy Loss Spectroscopy]. United States: N. p., 1999. Web.
Humphreys, C J, Botton, G A, Pankhurst, D A, Keast, V J, & Temmerman, W M. Electronic structure, charge transfer and bonding in intermetallics using EELS and density functional theory[Electron Energy Loss Spectroscopy]. United States.
Humphreys, C J, Botton, G A, Pankhurst, D A, Keast, V J, and Temmerman, W M. 1999. "Electronic structure, charge transfer and bonding in intermetallics using EELS and density functional theory[Electron Energy Loss Spectroscopy]". United States.
@article{osti_20001675,
title = {Electronic structure, charge transfer and bonding in intermetallics using EELS and density functional theory[Electron Energy Loss Spectroscopy]},
author = {Humphreys, C J and Botton, G A and Pankhurst, D A and Keast, V J and Temmerman, W M},
abstractNote = {Electron energy loss spectroscopy and density functional theory have been used to show that there is a covalent component to the bonding in NiAl, CoAl and FeAl, between the transition metal atom and Al. There is no charge transfer and no ionic component to the bonding in NiAl and probably not in CoAl and FeAl. The bonding is non-stoichiometric NiAl is studied. Preliminary results are given for a {Sigma}{sub 3} boundary in NiAl.},
doi = {},
url = {https://www.osti.gov/biblio/20001675}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 01 00:00:00 EDT 1999},
month = {Thu Jul 01 00:00:00 EDT 1999}
}

Conference:
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