On the geometry of d-orbitals: W (001) surface
1988 ◽
Vol 53
(4)
◽
pp. 661-664
◽
Keyword(s):
Low-order moment analysis of the W (001) surface reconstruction leads to the following conclusions: 1) The d-orbitals participate in the reconstruction-induced surface-surface coupling, the effect being most pronounced for the x2 - y2 orbital. 2) A non-negligible surface-bulk coupling exists and it is due to the (x - y) z orbital. An additional mechanism favouring the zig-zag mode is suggested.
1999 ◽
Vol 17
(3)
◽
pp. 445-451
◽
Keyword(s):
2014 ◽
Vol E97.A
(2)
◽
pp. 538-542
◽
Keyword(s):