Analysis of Functional Models in Density Functional Theory : Applications to Transition Metal Oxides
This work presents a study of the electronic structure of four transition metal oxides (TMOs) using spectroscopic data and a variety of theoretical models. TMOs are a class of materials made from d-block metals in the periodic table, and one or more oxygen atoms. The nature of d-electrons is examine...
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| Language: | English |
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2014
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| Online Access: | http://hdl.handle.net/10388/ETD-2013-09-1248 |