Analysis of Functional Models in Density Functional Theory : Applications to Transition Metal Oxides

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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Bibliographic Details
Other Authors: Moewes, Alex
Language:English
Published: 2014
Subjects:
Density Functional Theory
Transition Metal Oxides
X-ray Spectroscopy
Hubbard U
d-electrons
Correlated Materials
Electronic Structure
Density of States
Online Access:http://hdl.handle.net/10388/ETD-2013-09-1248

Internet

http://hdl.handle.net/10388/ETD-2013-09-1248

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