Open AccessMagnetic Ordering of Dangling Bond Networks on Hydrogen-Deposited Si(111) Surfaces
Author(s) -
Susumu Okada,
Kenji Shiraishi,
Atsushi Oshiyama
Publication year - 2003
Publication title -
physical review letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.688
H-Index - 673
eISSN - 1079-7114
pISSN - 0031-9007
DOI - 10.1103/physrevlett.90.026803
Subject(s) - dangling bond , ferrimagnetism , density functional theory , materials science , condensed matter physics , hydrogen , nanometre , spin (aerodynamics) , electronic structure , surface reconstruction , surface (topology) , chemical physics , silicon , physics , computational chemistry , chemistry , thermodynamics , magnetic field , quantum mechanics , magnetization , composite material , geometry , mathematics , metallurgy
Based on total-energy electronic-structure calculations within the density-functional theory, we find that a high spin state is realized for an ultimate dangling bond unit on an otherwise hydrogen-covered Si(111) surface. We further propose a systematic method of constructing nanometer-scale dangling bond networks that exhibit the ferrimagnetic spin ordering. The interplay between the electron-electron interaction and the surface reconstruction is elucidated
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