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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Bibliographic Details
Main Author: Peng, Songshi S.
Other Authors: Jansen, Henri J. F.
Language:en_US
Published: 2013
Subjects:
Online Access:http://hdl.handle.net/1957/36745