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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题名:	First-Principles Method of Propagation of Tightly Bound Excitons: Verifying the Exciton Band Structure of LiF with Inelastic x-Ray Scattering
作者:	Lee, Chi-Cheng;Chen, Xiaoqian M.;Gan, Yu;Yeh, Chen-Lin;Hsueh, Hung-Chung;Peter Abbamomte;Ku, ei
贡献者:	淡江大學物理學系
关键词:	First principles;Propagation of Exciton;Inelastic X-ray Scattering
日期:	2013-10-08
上传时间:	2013-10-16 17:31:45 (UTC+8)
出版者:	College Park: American Physical Society
摘要:	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.
關聯:	Physical Review Letter 111(15), 157401(5pages)
DOI:	10.1103/PhysRevLett.111.157401
显示于类别:	[物理學系暨研究所] 期刊論文

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