How The Electronic Structure In Uru2si2 Changes With Temperature: A High-Resolution Compton Scattering Study

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN(2018)

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摘要
We have measured directional Compton profiles on the (001) plane in URu2Si2 single crystal at several temperatures. Two-dimensional electron occupation number densities (2D-EONDs) were obtained from the profiles through electron momentum reconstruction and Lock-Crisp-West folding analyses. We have also performed band calculations based on 5 f-electron itinerant and localized models and derived theoretical 2D-EONDs for comparison. The experimental 2D-EOND at 300 K is well described by the localized model, and the 2D-EOND at 10 K is consistent with the theoretical one based on the itinerant model. The difference between 2D-EONDs at 30 and 100 K reflects a gradual change in the electronic structuie, which reveals some of the crossover phenomena from localized to itinerant states. The change from localized to itinerant states is also lellected in a B(r) function, which is obtained in the reconstruction analysis and is an autocorrelation function of the wave function in the position space. The process by which the electronic structure in URu2Si2 changes is demonstrated through a series of experimental results.
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关键词
Crystal Structure Prediction
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