A tight-binding study of energy levels of iron in SrTiO3
作者： M O Selme , P Pecheur , G Toussiant
DOI: 10.1088/0022-3719/17/29/018
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摘要: Using a tight-binding parametrisation of the band structure SrTiO3 together with Green function method, authors calculate energy levels Fe5+, Fe4+, Fe3+ and Fe2+ ions, without spin polarisation. The shape optical transition spectra is deduced results are compared experimental results. A comparison also given previous X alpha calculation.
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