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Electronic Structure of Lithium Tetraborate

Electronic Structure of Lithium Tetraborate

Paperback

ChemistryGeneral EducationPhysics

ISBN10: 1288330359
ISBN13: 9781288330355
Publisher: Biblioscholar
Published: Nov 21 2012
Pages: 196
Weight: 0.62
Height: 0.42 Width: 6.14 Depth: 9.21
Language: English

Due to interest as neutron detection material, an investigation of Li2B4O7(110) and Li2B4O7(100) was undertaken, utilizing photoemission and inverse photoemission spectroscopic techniques. The measured band gap depended on crystallographic direction with the band gaps ranging from 8.9 0.5 eV to 10.1 0.5 eV. The measurement yielded a density of states that qualitatively agreed with the theoretical results from model bulk band structure calculations for Li2B4O7; albeit with a larger band gap than predicted, but consistent with the known deficiencies of LDA and DFT calculations. The occupied states of both surfaces were extremely flat; to the degree that resolving periodic dispersion of the occupied states was inconclusive, within the resolution of the system.

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