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Volumn 81, Issue 9, 2010, Pages

Itinerant nature of magnetism in iron pnictides: A first-principles study

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EID: 77954927629     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.094505     Document Type: Article
Times cited : (38)

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    • It is well known that the magnetic moments are overestimated by GGA (Refs.) when compared to experimental data (Refs.) or even to LDA calculations (Refs.). The reason for choosing GGA for the structure optimization is that the GGA optimized structures are more consistent with experiment than the LDA ones (Refs.).
    • It is well known that the magnetic moments are overestimated by GGA (Refs.) when compared to experimental data (Refs.) or even to LDA calculations (Refs.). The reason for choosing GGA for the structure optimization is that the GGA optimized structures are more consistent with experiment than the LDA ones (Refs.).
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