Institute of Computational and Theoretical Studies
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.
Royal Society of Chemistry
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Ren, Ji-Chang, Rui-Qin Zhang, Zejun Ding, and Michel Andre Van Hove. "Strong slip-induced anomalous enhancement and red-shifts in wide-range optical absorption of graphite under uniaxial pressure." Nanoscale 6.15 (2014): 8943-8948.