Document Type

Journal Article

Department/Unit

Institute of Computational and Theoretical Studies

Abstract

Natural graphite shows little optical response. Based on first-principles calculations, we demonstrate, for the first time, that an in-plane pressure-induced slip between atomic layers causes a strong anomalous enhancement and large red-shifts in the infrared and far infrared optical absorption by graphite. Specifically, a slip along the armchair direction induces an absorption feature that redshifts from rv3 eV to rv0.15 eV, while its intensity increases by an order of magnitude, due to an electron density delocalization effect with slip. Our results provide a way to detect and measure the magnitude of the in- plane slip of graphite under compression and also open up potential applications in electronics and photonics.

Publication Year

2014

Journal Title

Nanoscale

Volume number

6

Issue number

15

Publisher

Royal Society of Chemistry

First Page (page number)

8943

Last Page (page number)

8948

Referreed

1

DOI

10.1039/C4NR01940G

ISSN (print)

20403372

Included in

Physics Commons

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