LMTO-ASA Calculations on NiSi_2/Si(001) Interface

元データ 1991-08-15 社団法人日本物理学会


The electronic structure of the NiSi./ Si(001) interface was studied using LMTO-ASA (linear muffin-tin orbitals in the atomic sphere approximation) based on the density functional formalism. We examined two interface structures in which the Niatoms at the interface are sixfold-coordinated or eightfold-coordinated. The sixfoldstructure had a negative Schottky barrier height (E. -E.). The eightfoldNiSi./ Si(001) structure showed almost the same Schottky barrier height as the Type-A NiSi./Si(III) interface despite the difference in the interface atomic structure.


ASANO Setsuro Institute of Physics, College of Arts and Sciences, University of Tokyo
Asano Setsuro Institute For Solid State Physics The University Of Tokyo
Asano Setsuro Institute Of Physics College Of Arts And Sciences University Of Tokyo
FUJITANI Hideaki Fujitsu Laboratories Ltd.