The structural and electronic properties of two-dimensional gallium nitrides (2D GaNs) on a van der Waals (vdW) epitaxial substrate are investigated using first-principles calculations. We show that the structures and electronic properties of mono- and bilayer GaN are hardly affected when deposited on the vdW substrate comprising a graphene sheet placed on the GaN(0001) bulk surface. A weak attractive interaction is found to work between the 2D GaNs and vdW substrate, which is still sufficient to maintain the 2D GaNs on the substrate and could also be exploited to control their stability. The present findings demonstrate that the vdW substrate is propitious to grow and hold the 2D GaNs without altering their intrinsic properties, in contrast to previously examined metal substrates.
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15 November 2021
Research Article|
November 16 2021
First-principles study of two-dimensional gallium-nitrides on van der Waals epitaxial substrate
Tomoe Yayama
;
Tomoe Yayama
a)
1
School of Advanced Engineering, Kogakuin University
, Tokyo, Shinjuku 163-8677, Japan
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Anh Khoa Augustin Lu
;
Anh Khoa Augustin Lu
b)
2
Mathematics for Advanced Materials Open Innovation Laboratory (MathAM-OIL), National Institute of Advanced Industrial Science and Technology (AIST)
, Sendai, Miyagi 980-8577, Japan
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Tetsuya Morishita
;
Tetsuya Morishita
a)
2
Mathematics for Advanced Materials Open Innovation Laboratory (MathAM-OIL), National Institute of Advanced Industrial Science and Technology (AIST)
, Sendai, Miyagi 980-8577, Japan
3
Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST)
, Tsukuba, Ibaraki 305-8568, Japan
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Takeshi Nakanishi
Takeshi Nakanishi
2
Mathematics for Advanced Materials Open Innovation Laboratory (MathAM-OIL), National Institute of Advanced Industrial Science and Technology (AIST)
, Sendai, Miyagi 980-8577, Japan
3
Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST)
, Tsukuba, Ibaraki 305-8568, Japan
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b)
Present address: International Center for Materials Nanoarchitechtonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan.
Appl. Phys. Lett. 119, 203101 (2021)
Article history
Received:
August 28 2021
Accepted:
October 28 2021
Citation
Tomoe Yayama, Anh Khoa Augustin Lu, Tetsuya Morishita, Takeshi Nakanishi; First-principles study of two-dimensional gallium-nitrides on van der Waals epitaxial substrate. Appl. Phys. Lett. 15 November 2021; 119 (20): 203101. https://doi.org/10.1063/5.0068939
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