%0 Journal Article
%A Zhang, Qiang
%A Yu, Jin
%A Ebert, Philipp
%A Zhang, Chendong
%A Pan, Chi-Ruei
%A Chou, Mei-Yin
%A Shih, Chih-Kang
%A Zeng, Changgan
%A Yuan, Shengjun
%T Tuning Band Gap and Work Function Modulations in Monolayer hBN/Cu(111) Heterostructures with Moiré Patterns
%J ACS nano
%V 12
%N 9
%@ 1936-086X
%C Washington, DC
%I Soc.
%M FZJ-2018-06217
%P 9355 - 9362
%D 2018
%X The moiré pattern formed between a two-dimensional (2D) material and the substrate has played a crucial role in tuning the electronic structure of the 2D material. Here, by using scanning tunneling microscopy and spectroscopy, we found a moiré-pattern-dependent band gap and work function modulation in hexagonal boron nitride (hBN)/Cu(111) heterostructures, whose amplitudes increase with the moiré pattern wavelength. Moreover, the work function modulation shifts agree well with the conduction band edge shifts, indicating a spatially constant electron affinity for the hBN layer. Density functional theory calculations showed that these observations in hBN/Cu(111) heterostructures mainly originated from the hybridization of the N 3pz orbital and Cu 4s orbital in different atomic configurations. Our results show that the twist-angle dependence of moiré patterns in hBN/Cu(111) heterostructures can be used to tailor the electronic properties including band gap and work function.
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:30107116
%U <Go to ISI:>//WOS:000445972400054
%R 10.1021/acsnano.8b04444
%U https://juser.fz-juelich.de/record/856885