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Theoretical description of time-resolved pump/probe photoemission in TaS2: a single-band DFT+DMFT(NRG) study within the quasiequilibrium approximation

Freericks, JK and Krishnamurthy, HR and Ge, Yizhi and Liu, AY and Pruschke, Th (2009) Theoretical description of time-resolved pump/probe photoemission in TaS2: a single-band DFT+DMFT(NRG) study within the quasiequilibrium approximation. In: 32nd International Conference on Theoretical Physics, SEP 05-10, 2008, Ustron, Poland, pp. 948-954.

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Official URL: http://www3.interscience.wiley.com/journal/1223022...

Abstract

In this work, we theoretically examine recent pump/probe photoemission experiments on the strongly correlated charge-density-wave insulator TaS2.We describe the general nonequilibrium many-body formulation of time-resolved photoemission in the sudden approximation, and then solve the problem using dynamical mean-field theory with the numerical renormalization group and a bare density of states calculated from density functional theory including the charge-density-wave distortion of the ion cores and spin-orbit coupling. We find a number of interesting results: (i) the bare band structure actually has more dispersion in the perpendicular direction than in the two-dimensional planes; (ii) the DMFT approach can produce upper and lower Hubbard bands that resemble those in the experiment, but the upper bands will overlap in energy with other higher energy bands; (iii) the effect of the finite width of the probe pulse is minimal on the shape of the photoemission spectra; and (iv) the quasiequilibrium approximation does not fully describe the behavior in this system.

Item Type: Conference Paper
Additional Information: Copyright of this article belongs to John Wiley and Sons.
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 11 Dec 2009 09:45
Last Modified: 19 Sep 2010 05:34
URI: http://eprints.iisc.ernet.in/id/eprint/20725

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