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4시 20분부터 제1과학관 31214 e+강의실에서 다과를 준비하오니 많은 참석 부탁드립니다.
Title: Local electronic structures of stacking grain boundary in bilayer graphene
Speaker: Prof. Gunn Kim (Department of Physics & Astronomy, Sejong University)
Date & Time: Sep. 30 (Wed.) 2015, 4:30 PM
Place: Natural Science 1, Room No. 31214
Abstract: Gap opening is possible in bilayer graphene (BLG), thus making it a very promising material that overcomes graphene’s key limitation while retaining many of its interesting properties. For example, massive Dirac fermions in BLG exhibit a band gap tunable by applying a transverse electric field (E field); this has been demonstrated by optical and electrical transport measurements using dual-gated devices. However, these measurements leave a couple of unsolved problems: (i) the origin of unexpectedly small transport gaps that are 2 orders of magnitude smaller than optical gaps and (ii) the origin of anomalous low-temperature (< 2 K) transport behaviors dominated by hopping between localized midgap states, presumably induced from disorder or defects.
Recent experiments have revealed complex configurations in BLG, including various stacking domains induced by rotational faults and soliton formation. While AB stacking is energetically most favorable, the non-ABstacking region can be stabilized by a minute twist and the stacking boundary. The local stacking configuration is strongly coupled to its electronic structure and its response to an external E field. Therefore, it is critically important, fundamentally and practically, to understand the observed complex stacking configurations and their impact on the overall electronic properties.
In this talk, I will present gap-opening properties of BLG near the high-symmetry stackings (AA, AA’, and AB), under an applied E field. We establish a phase diagram for the stacking-dependent gap openings and further identify grain boundaries containing non-AB stackings as a source for high-density midgap states even under a strong E field. Our findings offer insight to understanding the intrinsic transport properties of BLG.
Within density functional theory, our calculations adopt the Perdew-Burke-Ernzerhof version of the exchange-correlation functional and the projector augmented wave method for ionic potentials. We obtain interlayer distances between 3.25 (AB) and 3.45 A (AA) with van der Waals correction. To ensure an accurate band gap, the 2D DFT band structure near the K point is interpolated by using maximally localized Wannier functions. Effective Hamiltonians are constructed with the obtained hopping parameters truncated to the first-nearest-interlayer hopping.
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