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LaB6 Work Function and Structural Stability under High Pressure
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DOI：10.1088/0256-307X/34/7/076201.png)
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Abstract
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The work functions of the (110) and (100) surfaces of LaB6 are determined from ambient pressure to 39.1GPa. The work function of the (110) surface slowly decreases but that of the (100) surface remains at a relatively constant value. To determine the reason for this difference, the electron density distribution (EDD) is determined from high-pressure single-crystal x-ray diffraction data by the maximum entropy method. The EDD results show that the chemical bond properties in LaB6 play a key role. The structural stability of LaB6 under high pressure is also investigated by single-crystal x-ray diffraction. In this study, no structural or electronic phase transition is observed from ambient pressure to 39.1GPa.
Keywords:
ELECTRONIC-STRUCTURE
METALLIC LAB6
DIFFRACTION
CRYSTAL
DENSITY
SURFACE
STRAIN
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