Subject: force-field for semiconductors

From: Michael Nolan <[email-masked]>
Date: Fri, 27 Nov 1998 14:54:16 +0000 (GMT)

Hi all,

I have a quick question for you all...

My boss is doing lattice calculations on GaAs using force-field
calculations within Cerius2. The only FF which we expect any kind 
of results from is the Universal FF (Goddard and co-workers). 
So does anyone know 
(i)if this FF gives good results for such systems (also
of interest would be Si-Ge or Si etc etc)? 
(ii) if not are there any other FFs we could use?

Thank you in advance for your time

Michael

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Mr. Michael Nolan	
Materials Modelling Section, Advanced Materials and Technologies Group
National Microelectronics Research Centre  	
Lee Maltings, Prospect Row				   	
Cork
IRELAND

mail: [email-masked]

Tel:   + 353 21 90 4113

http://nmrc.ucc.ie/projects/ape/
http://nmrc.ucc.ie/groups/AMT/modellingRes.html

EMRS Call for papers:
http://nmrc.ucc.ie/groups/AMT/SympMain.html
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