Computer Modelling and Exafs Study of the Disorder In Cd1−x Pb x F2 Mixed Systems
作者： T. T. Netshisaulu , P. E. Ngoepe , A. V. Chadwick
DOI: 10.1080/08927029908022082
关键词:
摘要: Abstract We report molecular dynamics and EXFAFS studies of Cd0.4Pb0.6F2 mixed system. A striking feature in is the mobility F− ions below. Tc calculations defect activation energies plots single ion trajectories this compound show that fluorine migrate predominantly by a near interstitialcy mode migration. The results obtained from EXAFS on local environments around Cd Pb cations system are consistent with findings computer simulations radial distribution functions. environment Pb2+ more disordered than Cd2+ ions.
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