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Surface resonance of the (2×1) reconstructed lanthanum hexaboride (001)-cleavage plane : a combined STM and DFT study
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Buchsteiner, P., Sohn, F., Horstmann, J. G., Voigt, J., Ciomaga Hatnean, Monica, Balakrishnan, Geetha, Ropers, C., Blöchl, P. E. and Wenderoth, M. (2019) Surface resonance of the (2×1) reconstructed lanthanum hexaboride (001)-cleavage plane : a combined STM and DFT study. Physical Review B, 100 (20). 205407. doi:10.1103/PhysRevB.100.205407 ISSN 2469-9950.
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WRAP-surface-resonance-reconstructed-lanthanum-combined-Balakrishnan-2019.pdf - Published Version - Requires a PDF viewer. Download (7Mb) | Preview |
Official URL: http://dx.doi.org/10.1103/PhysRevB.100.205407
Abstract
We performed a combined study of the (001)-cleavage plane of lanthanum hexaboride (LaB6) using scanning tunneling microscopy and density-functional theory (DFT). Experimentally, we found a (2×1) reconstructed surface on a local scale. The reconstruction is only short-range ordered and tends to order perpendicularly to step edges. At larger distances from surface steps, the reconstruction evolves to a labyrinthlike pattern. These findings are supported by low-energy electron diffraction experiments. Slab calculations within the framework of DFT show that the atomic structure consists of parallel lanthanum chains on top of boron octahedra. Scanning tunneling spectroscopy shows a prominent spectral feature at −0.6eV. Using DFT, we identify this structure as a surface resonance of the (2×1) reconstructed LaB6 (100) surface which is dominated by boron dangling bond states and lanthanum d states.
Item Type: | Journal Article | ||||||||||||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry Q Science > QH Natural history |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Lanthanum hexaboride , Scanning tunneling microscopy , Density functionals | ||||||||||||||||||||||||
Journal or Publication Title: | Physical Review B | ||||||||||||||||||||||||
Publisher: | American Physical Society | ||||||||||||||||||||||||
ISSN: | 2469-9950 | ||||||||||||||||||||||||
Official Date: | 15 November 2019 | ||||||||||||||||||||||||
Dates: |
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Volume: | 100 | ||||||||||||||||||||||||
Number: | 20 | ||||||||||||||||||||||||
Article Number: | 205407 | ||||||||||||||||||||||||
DOI: | 10.1103/PhysRevB.100.205407 | ||||||||||||||||||||||||
Status: | Peer Reviewed | ||||||||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||||||||
Copyright Holders: | ©2019 American Physical Society | ||||||||||||||||||||||||
Date of first compliant deposit: | 3 January 2020 | ||||||||||||||||||||||||
Date of first compliant Open Access: | 7 January 2020 | ||||||||||||||||||||||||
RIOXX Funder/Project Grant: |
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