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SUMMARY:Metal-Semiconductor Ohmic Contacts: An ab initio Density Functiona
 l Theory Study of the Structural and Electronic Properties of Metal-Diamon
 d (111)-(1x1) Interfaces.
DTSTART;VALUE=DATE-TIME:20110714T150000Z
DTEND;VALUE=DATE-TIME:20110714T170000Z
DTSTAMP;VALUE=DATE-TIME:20260715T050031Z
UID:indico-contribution-5058@events.saip.org.za
DESCRIPTION:Speakers: Isaac Motochi (PhD student\, University of the Witwa
 tersrand)\nMetal contacts on clean\, hydrogenated and oxygenated diamond s
 urfaces have been studied using ab initio Density Functional Theory. Five 
 metals\, i.e.\, gold\, titanium\, tantalum\, vanadium and palladium on the
  three surfaces were considered. Gold and palladium were found to form wea
 k bonds on clean\, hydrogenated or oxygenated diamond (111) surfaces compa
 red to the other three metals. Bulk properties were also studied following
  the formation of the respective ohmic contacts on the three surfaces. The
  clean diamond surface was found to have surface states which were modifie
 d by oxygen but removed by hydrogen. Density of states studies revealed th
 at all the investigated metals had an effect on the electrical properties 
 of the diamond surface. A peak that is characteristic of diamond was obser
 ved at ≈ -11.8 eV. For the clean diamond surface terminated with gold an
 d palladium\, states due to Au-2p orbitals were observed at ≈ -2.5 eV an
 d ≈ -1.5 eV\, while Pd-5s orbitals were located at ≈ -1.7 eV and ≈ -
 0.5 eV on the same surface. Titanium\, tantalum and vanadium showed unique
  states at high binding energies of ≈ -38 eV for vanadium\, ≈ -34 eV f
 or tantalum and ≈ -32.5 eV for titanium\, which were thought to be respo
 nsible for their strong bonding.\nKey words: Metal-diamond interface\, Ads
 orption\, ohmic contacts\n\nhttps://events.saip.org.za/event/7/contributio
 ns/5058/
LOCATION: Asteria
URL:https://events.saip.org.za/event/7/contributions/5058/
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