Field-Driven Dynamics of Correlated Electrons in LiH and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>NaBH</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>Revealed by Femtosecond X-Ray Diffraction

Abstract

We study the quasi-instantaneous change of electron density in the unit cells of LiH and NaBH4 in response to a nonresonant strong optical field. We determine for the first time the related transient electron density maps, applying femtosecond x-ray powder diffraction as a structure probe. The light-induced charge relocation in NaBH4 exhibits an electron transfer from the anion (BH(4)(-)) to the Na(+) cation. In contrast, LiH displays the opposite behavior, i.e., an increase of the ionicity of LiH in the presence of the strong electric field. This behavior originates from strong electron correlations in LiH, as is evident from a comparison with quasiparticle band structures calculated within the Coulomb-hole-plus-screened-exchange formalism.