journal article·2018-09-25

Tuning Band Gap and Work Function Modulations in Monolayer hBN/Cu(111) Heterostructures with Moiré Patterns

Qiang Zhang, Jin Yu, Philipp Ebert, Chendong Zhang, Chi-Ruei Pan, Mei-Yin Chou, Chih-Kang Shih, Changgan Zeng, Shengjun Yuan

ACS Nano· Volume 12· Issue 9
Publisher page

Abstract

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.
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Research context

OpenAlex topics: Graphene research and applications · Surface and Thin Film Phenomena · Semiconductor materials and devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China

CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics, and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, China

Department of Physics, University of Texas at Austin, Austin, Texas 78712, United States

Beijing Computational Science Research Center, Beijing 100084, China

Theory of Condensed Matter, Radboud University, Nijmegen 6525, AJ, The Netherlands

Peter Grünberg Institut, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

School of Physics and Technology, Wuhan University, Wuhan 430072, China

School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, United States

Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan

Funding

Welch Foundation · Ministry of Science and Technology of the People's Republic of China · Ministry of Education of the People's Republic of China · Division of Emerging Frontiers in Research and Innovation · Academia Sinica · FP7 Ideas: European Research Council · National Natural Science Foundation of China

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