Search: onr:"swepub:oai:DiVA.org:kth-84521" >
Surface properties ...
Surface properties of 3d transition metals
-
Punkkinen, M.P.J. (author)
-
Hu, Q.-M. (author)
-
Kwon, S.K. (author)
-
show more...
-
- Johansson, Börje (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
-
Kollar, J. (author)
-
- Vitos, Levente (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
-
show less...
-
(creator_code:org_t)
- Informa UK Limited, 2011
- 2011
- English.
-
In: Philosophical Magazine. - : Informa UK Limited. - 1478-6435 .- 1478-6443. ; 91:27, s. 3627-3640
- Related links:
-
https://hal.archives...
-
show more...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
show less...
Abstract
Subject headings
Close
- Using the projector augmented wave method within density functional theory, we present a systematic study of the layer relaxation, surface energy and surface stress of 3d transition metals. Comparing the calculated trends for the surface energy and stress with those obtained for 4d and 5d metals we find that magnetism has a significant effect on the surface properties. Enhanced surface magnetic moments decrease the size of the surface relaxation, lower the surface energy and surface stress, leading to compressive stress in Cr and Mn.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Keyword
- surface relaxation
- surface energy
- surface stress
- magnetic transition metals
- density functional theory
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database