Electronic structures and magnetic properties of iron in various magnetic states and structural phases
Total energy calculations based on density functional theory are generally a good approach to obtain the properties of solids. The local density approximation (LDA) is widely used for calculating the ground state properties of electronic systems; for excited states the errors are in general unknown....
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Language: | en_US |
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2013
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Online Access: | http://hdl.handle.net/1957/36745 |