The role of the Jahn–Teller distortions
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Miguel Castro
📂
Article
📅
1997
🏛
John Wiley and Sons
🌐
English
⚖ 259 KB
Small clusters of iron atoms, up to heptamers, were studied by density functional theory. The calculations performed were all-electron and both local and gradient-dependent potentials were used. Most of the symmetric or compact structures show degenerate electronic states which are stabilized, throu