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2012 | 121 | 4 | 876-878
Article title

Electronic Band Structure of La_{2/3}Pb_{1/3}Mn_{2/3}Fe_{1/3}O_3

Content
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Languages of publication
EN
Abstracts
EN
We present theoretical studies of electric and magnetic properties in manganese perovskite La_{2/3}Pb_{1/3}Mn_{2/3}Fe_{1/3}O_3. The calculations were carried out by means of the first-principles density functional theory (DFT) with general gradient approximation GGA+U using Wien2K package. The P-3c1 crystal structure was chosen from the detailed X-ray diffraction data for the perovskite. For Mn and Fe d electrons exact exchange energy was utilized. Different orientation of magnetic moments on Mn and Fe atoms was considered. The computed density of states display band gap for both spin orientations in accord with our previous work, indicating that this compound should show an insulating ground state
Keywords
Year
Volume
121
Issue
4
Pages
876-878
Physical description
Dates
published
2012-04
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv121n4p203kz
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