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Volumn 78, Issue 11, 2008, Pages

Structural and electronic properties of SrFeO2 from first principles

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EID: 51349099899     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.115101     Document Type: Article
Times cited : (71)

References (20)
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    • Particular electronic solutions can be stabilized by considering specially favorable conditions (e.g., a large value of d FeO′ for the doubly occupied z2). The wave functions thus obtained can be used as the starting point of additional calculations so as to complete curves, as in Fig. 3.
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