A Novel Coupling between the Electron Structure and Properties of Perovskite Transition Metal Oxides

The ab-initio computational techniques are employed to extract the coupling between the electronic structure and magnetic properties for a wide variety of transition metal oxides. Optimized crystalline structures are computed by employing Hartree Fock (HF) and Density Functional Theory (DFT) techniq...

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Veröffentlicht in:	Applied mathematics (Irvine, Calif.) Calif.), 2013-09, Vol.4 (9), p.1320-1325
Hauptverfasser:	Narejo, Ghous, Perger, Warren F.
Format:	Artikel
Sprache:	eng
Schlagworte:	Barium titanates
Online-Zugang:	Volltext
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