期刊
ACS NANO
卷 12, 期 9, 页码 9355-9362出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.8b04444
关键词
hexagonal boron nitride; moire pattern; scanning tunneling microscopy and spectroscopy; band gap; work function; density functional theory
类别
资金
- National Key RAMP
- D Program of China [2017YFA0403600]
- National Basic Research Program of China [2014CB921102]
- National Natural Science Foundation of China [11434009, 11461161009, 11774268, 11774269]
- Anhui Initiative in Quantum Information Technologies
- Beijing Computational Science Research Center [NSAF U1530401]
- European Research Council Advanced Grant Program [338957]
- Academia Sinica [AS-106-TP-A07]
- U.S. National Science Foundation (NSF) [EFMA-1542747]
- Welch Foundation [F-1672]
- Thousand Young Talent Plan
The moire pattern formed between a two-dimen-sional (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 moire-pattern-dependent band gap and work function modulation in hexagonal boron nitride (hBN)/Cu(111) heterostructures, whose amplitudes increase with the moire 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 3p(z) orbital and Cu 4s orbital in different atomic configurations. Our results show that the twist-angle dependence of moire patterns in hBN/Cu(111) heterostructures can be used to tailor the electronic properties including band gap and work function.
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