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