First-Principles Calculation for the Half Metallic Properties of La_2NbMnO_6
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Abstract
La_2VMnO_6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La_2NbMnO_6 is investigated using the density functional theory. The calculated results indicate that La_2NbMnO_6 is also ferrimagnetic and exhibits the half metallic properties due to the strong electron correlation of Mn. The valence states of Nb and Mn are assigned to be +4 and +2 in La_2NbMnO_6, respectively, which are different from V^3+/Mn^3+ in La_2VMnO_6.
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Ning-Ning Zu, Rui Li, Ya-Hui Zheng, Lin Chen. First-Principles Calculation for the Half Metallic Properties of La$_{2}$NbMnO$_{6}$[J]. Chin. Phys. Lett., 2017, 34(10): 107101. DOI: 10.1088/0256-307X/34/10/107101
Ning-Ning Zu, Rui Li, Ya-Hui Zheng, Lin Chen. First-Principles Calculation for the Half Metallic Properties of La$_{2}$NbMnO$_{6}$[J]. Chin. Phys. Lett., 2017, 34(10): 107101. DOI: 10.1088/0256-307X/34/10/107101
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Ning-Ning Zu, Rui Li, Ya-Hui Zheng, Lin Chen. First-Principles Calculation for the Half Metallic Properties of La$_{2}$NbMnO$_{6}$[J]. Chin. Phys. Lett., 2017, 34(10): 107101. DOI: 10.1088/0256-307X/34/10/107101
Ning-Ning Zu, Rui Li, Ya-Hui Zheng, Lin Chen. First-Principles Calculation for the Half Metallic Properties of La$_{2}$NbMnO$_{6}$[J]. Chin. Phys. Lett., 2017, 34(10): 107101. DOI: 10.1088/0256-307X/34/10/107101
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