Monte Carlo simulations using crystal chemical constraints have been used t
o elucidate the copper diffusion mechanisms in copper-doped zinc sulfide. R
elaxation around the ZnS\Cu2-xS interface allows facile copper diffusion, p
articularly in the presence of substitutional oxygen or sulfur vacancies. C
opper diffusion is responsible for the brightness degradation in this elect
roluminescent material. Reducing sulfur vacancies and substitutional oxygen
species are outlined as ways to reduce the luminescence decay. (C) 1999 El
sevier Science B.V. All rights reserved.