First-Principles Method of Propagation of Tightly Bound Excitons: Verifying the Exciton Band Structure of LiF with Inelastic x-Ray Scattering

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Title:	First-Principles Method of Propagation of Tightly Bound Excitons: Verifying the Exciton Band Structure of LiF with Inelastic x-Ray Scattering
Authors:	Lee, Chi-Cheng;Chen, Xiaoqian M.;Gan, Yu;Yeh, Chen-Lin;Hsueh, Hung-Chung;Peter Abbamomte;Ku, ei
Contributors:	淡江大學物理學系
Keywords:	First principles;Propagation of Exciton;Inelastic X-ray Scattering
Date:	2013-10-08
Issue Date:	2013-10-16 17:31:45 (UTC+8)
Publisher:	College Park: American Physical Society
Abstract:	We propose a simple first-principles method to describe the propagation of tightly bound excitons. By viewing the exciton as a composite object (an effective Frenkel exciton in Wannier orbitals), we define an exciton kinetic kernel to encapsulate the exciton propagation and decay for all binding energies. Applied to prototypical LiF, our approach produces three exciton bands, which we verified quantitatively via inelastic x-ray scattering. The proposed real-space picture is computationally inexpensive and thus enables study of the full exciton dynamics, even in the presence of surfaces and impurity scattering. It also provides an intuitive understanding to facilitate practical exciton engineering in semiconductors, strongly correlated oxides, and their nanostructures.
Relation:	Physical Review Letter 111(15), 157401(5pages)
DOI:	10.1103/PhysRevLett.111.157401
Appears in Collections:	[Graduate Institute & Department of Physics] Journal Article

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