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The two highest pressure points of experimental Run 1 were obtained with an Ar ion laser operating at 458 nm, an HR460 spectrometer and a Princeton Instruments CCD detector.
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The widths and line shapes, and also the intensities, seemed often dependent on the position of the probed area and the experimental run (possibly related to the local stress state and amount of synthesized material, respectively). We conservatively assumed single Lorentzian line shapes in combination with linear or quadratic backgrounds when fitting the spectra.
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- 1 of unknown origin. In additional experiments visual observation at pressures below 10 GPa at room temperature showed that the previously opaque sample appeared to become relatively transparent.
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We assume outlier points (open symbols in Fig. ) are due to not returning to exactly the same region of the sample after each pressure adjustment.
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We assume outlier points (open symbols in Fig.) are due to not returning to exactly the same region of the sample after each pressure adjustment.
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We note that the k -point sampling used to produce the projections is not sufficiently dense to capture the valence- and conduction-band extrema. Hence the band gap in this figure is overestimated.
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We note that the k -point sampling used to produce the projections is not sufficiently dense to capture the valence- and conduction-band extrema. Hence the band gap in this figure is overestimated.
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