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Origin of the Ising Ferrimagnetism and Spin-Charge Coupling in LuFe2O4
H. J. Xiang, E. J. Kan, Su-Huai Wei +2
The spin ordering and spin-charge coupling in LuFe2O4 were investigated on the basis of density functional calculations and Monte Carlo simulations. The 2:1 ferrimagnetism arises f…
Enhanced Ferromagnetic Stability in Cu Doped Passivated GaN Nanowires
H. J. Xiang, Su-Huai Wei
Density functional calculations are performed to investigate the room temperature ferromagnetism in GaN:Cu nanowires (NWs). Our results indicate that two Cu dopants are most stable…
Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3
H. J. Xiang, Su-Huai Wei, M. -H. Whangbo +1
The electronic and magnetic properties of TbMnO3 leading to its ferroelectric (FE) polarization were investigated on the basis of relativistic density functional theory (DFT) calcu…
Origin of the Structural and Magnetic Anomaly of the Layered Compound SrFeO2: A Density Functional Investigation
H. J. Xiang, Su-Huai Wei, M. -H. Whangbo
The structural and magnetic anomaly of the layered compound SrFeO were examined by first principles density functional calculations and Monte Carlo simulations. The down-spin…