Subject: Pair potentials for metal oxides...

From: Andres Aguado <[email-masked]>
Date: Wed, 1 Apr 1998 11:41:50 +0200

Dear Netters:

A week ago I posted a question concerning the simulation of oxides using
pair potentials. I wish to thank Manuel, Claudio, and Dewi for kindly
responding. Their answers were the same. Anyone interested in this item
should take a look to the following references and web direction:

 ..........................................................................

  TI: SELF-CONSISTENT INTERATOMIC POTENTIALS FOR THE SIMULATION OF
BINARY
      AND TERNARY OXIDES
  AU: BUSH_TS, GALE_JD, CATLOW_CRA, BATTLE_PD 
  JN: JOURNAL OF MATERIALS CHEMISTRY, 1994, Vol.4, No.11, p.1765
  
  TI: SELF-CONSISTENT INTERATOMIC POTENTIALS FOR THE SIMULATION OF
BINARY
      AND TERNARY OXIDES          
  AU: BUSH_TS, GALE_JD, CATLOW_CRA, BATTLE_PD
  JN: JOURNAL OF MATERIALS CHEMISTRY, 1994, Vol.4, No.6, pp.831-837

  http://www.ch.ic.ac.uk/gale/Research/gulp.html#Potentials

 ...........................................................................

Best regards,
Andres Aguado
[email-masked]
http://jmlopez.fam.cie.uva.es/~aguado