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4 papers · 2 filters
On the absence of a spiral magnetic order in Li2CuO2 with one-dimensional CuO2 ribbon chains
H. J. Xiang, C. Lee, M. -H. Whangbo
On the basis of first principles density functional theory electronic structure calculations as well as classical spin analysis, we explored why the magnetic oxide Li2CuO2, consist…
Charge Order Superstructure with Integer Iron Valence in Fe2OBO3
M. Angst, P. Khalifah, R. P. Hermann +6
Solution-grown single crystals of Fe2OBO3 were characterized by specific heat, Mossbauer spectroscopy, and x-ray diffraction. A peak in the specific heat at 340 K indicates the ons…
Incommensurate Charge Order Phase in Fe2OBO3 due to Geometrical Frustration
M. Angst, R. P. Hermann, W. Schweika +7
The temperature dependence of charge order in Fe2OBO3 was investigated by resistivity and differential scanning calorimetry measurements, Mossbauer spectroscopy, and synchrotron x-…
Transition metal oxides using quantum Monte Carlo
Lucas K. Wagner
The transition metal-oxygen bond appears prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernov…