Polarized Neutron Diffraction Study of a CuCr<SUB>2</SUB>Se<SUB>4</SUB> Single Crystal

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  • Polarized Neutron Diffraction Study of a CuCr2Se4 Single Crystal
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Abstract

The electronic state of CuCr2Se4 is investigated by means of the polarized neutron diffraction technique. From the measured form factors of copper and chromium atoms, the magnetic moments are determined to be −0.07±0.02 (μB/Cu) and 2.64±0.04 (μB/Cr), respectively. Further, the uniform polarization existent throughout the crystal is estimated to be −0.20±0.11 μB per formula unit, using the total moment 5.01±0.01 (μB/CuCr2Se4) obtained from the magnetization measurement. This result which differs from those reported by other authors with neutron diffraction, shows that neither of the ionic configuration models of Cu+[Cr3+Cr4+]Se4 and Cu2+[Cr23+]Se4 gives a satisfactory explanation of CuCr2Se4, although the former is closer to the experimental data. The form factor of the chromium atom agrees well with the calculated free ion form factor for Cr+, but not for Cr3+, and this fact indicates that the unpaired electron density on the chromium atom is more spread than that for free Cr3+. It is found that 84±16% of the unpaired 3d electrons occupy t2g orbitals.

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