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Thesis High-Resolution Photoemission Study of Kondo Insulators ...

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6.3. Results and Discussion 87<br />

Apart from the temperature dependence, the line shape <strong>of</strong> the spectral DOS itself<br />

is also unexpected. Band-structure calculation for LuB12 [6.9] has given a DOS <strong>of</strong> a<br />

weakly positive slope as shown in Fig. 6.8, which is almost flat around EF on the energy<br />

scale discussed here. On the other hand, the spectral DOS shows a strongly negative<br />

slope. 4<br />

DOS (states/eV)<br />

2.5<br />

2.0<br />

1.5<br />

1.0<br />

0.5<br />

LuB 12<br />

B p<br />

Lu d<br />

Lu f<br />

0<br />

-1.5 -1.0 -0.5 0 0.5<br />

Energy relative to EF (eV)<br />

Figure 6.8: Calculated B p and Lu d, f partial DOS <strong>of</strong> LuB12 [6.9].<br />

In the FD-function-divided spectra, we can also study part <strong>of</strong> the unoccupied states.<br />

In the lower panel <strong>of</strong> Fig. 6.6, the slope <strong>of</strong> the spectral DOS at higher temperature<br />

around and above EF is zero or positive, different from that below EF . To understand<br />

the discrepancy between the photoemission spectra and the band-structure calculation<br />

as well as the unusual temperature dependence <strong>of</strong> the spectral DOS, we can assume a<br />

V-shaped spectral DOS in LuB12 as the simplest scenario: Since electron correlation<br />

would be important also in the B sp band, the spectral DOS at EF may be suppressed in<br />

comparison with the DOS calculated within the one-electron approximation. At higher<br />

temperature, the sharp cusp-like spectral DOS at EF would be gradually smeared out<br />

due to various temperature-induced excitations including phonons.<br />

4 The extrapolated linear DOS crosses the base line at 170 meV above EF , too inclined to compare<br />

with the calculated DOS.

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