Found 6 document(s)
Page 1 of 1
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In this work, we present a first-principles approach to investigate phonon-assisted shift current in extended systems. Our method combines the special displacement technique with real-time simulations based on the dynami...
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In pump-probe spectroscopy, two laser pulses are employed to garner dynamical information from the sample of interest. The pump initiates the optical process by exciting a portion of the sample from the electronic ground...
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The family of group 14 tetra-aryl tetrels with cemical formula X(C 6 H 5) 4 and X = C, Si, Ge, Sn, Pb is investigated both theoretically and experimentally. Calculations in the framework of the density functional theory ...
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Second Harmonic Generation (SHG) of single-layer monochalcogenides, such as GaSe and InSe, has been recently reported [2D Mater. 5 (2018) 025019; J. Am. Chem. Soc. 2015, 137, 79947997] to be extremely strong with respect...
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In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons an...
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A universal set of third–nearest neighbour tight–binding (TB) parameters is presented for calculation of the quasiparticle (QP) dispersion of N stacked sp2 graphene layers (N = 1 . . . ∞) with AB stacking sequence. The Q...