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Coupled Electrical And Magnetic Properties In (La,Sr)Feo3-Δ, X.-D. Zhou, Qingsheng Cai, Jinbo Yang, M. S. Kim, William B. Yelon, William Joseph James, Y.-W. Shin, B. J. Scarfino, Harlan U. Anderson
Coupled Electrical And Magnetic Properties In (La,Sr)Feo3-Δ, X.-D. Zhou, Qingsheng Cai, Jinbo Yang, M. S. Kim, William B. Yelon, William Joseph James, Y.-W. Shin, B. J. Scarfino, Harlan U. Anderson
Materials Science and Engineering Faculty Research & Creative Works
This article is aimed at studying the temperature dependence oxygen nonstoichiometry, magnetic moments, Fe3+ fraction, Néel temperature and conductivity of (La,Sr)FeO3-δ. It is found that the magnetic properties in La0.60 Sr0.40 Fe3-δ is determined by Fe3+ and its concentration, and the conductance is resulted from Fe4+ ions, which act as electron holes. Both of magnetic and electrical properties were directly governed by oxygen nonstoichiometry (δ). when δ=0.2, the compound has maximum Fe3+, the saturation magnetic moments and Néel temperature are 3.8 µB and 410 °C, both at the highest level, …
Study Of The Electronic Structure Of Cafeo₃, Jinbo Yang, M. S. Kim, Qingsheng Cai, X.-D. Zhou, Harlan U. Anderson, William Joseph James, William B. Yelon
Study Of The Electronic Structure Of Cafeo₃, Jinbo Yang, M. S. Kim, Qingsheng Cai, X.-D. Zhou, Harlan U. Anderson, William Joseph James, William B. Yelon
Materials Science and Engineering Faculty Research & Creative Works
We have studied the charge disproportionation phenomenon in CaFeO3 using the local-spin density approximation with the on-site Coulomb interaction parameter U and exchange parameter J. The calculation reveals that the total number of the 3d electrons is about 5.1 for both Fe(1)(Fe5+) and Fe(2)(Fe3+) atoms, and that there are about 0.25 electron holes in the O-2p band. Therefore, the charge disproportionation can be more accurately described as 2d5L(Fe4+)=d5L2(Fe5+)+d5(Fe3+), where L denotes a hole in the oxygen 2p band, instead of 2d4(Fe4+)=d3(Fe5+)+d5(Fe3+). The hybridization between the Fe-3d and O-2p orbitals is stronger for Fe(1) than for Fe(2) due to the shorter …