New hexagonal boron nitride polytypes with triple-layer periodicity

Regular hexagonal boron nitride (h-BN) samples present a few of intrinsic stacking faults, which result in a long-standing controversy about their electronic properties. To resolve this controversy, we designed eight possible BN polytypes with triple-layer periodicity. Under ambient pressure, the en...

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Veröffentlicht in:Journal of applied physics 2017-04, Vol.121 (16)
Hauptverfasser: Luo, Kun, Yuan, Xiaohong, Zhao, Zhisheng, Yu, Dongli, Xu, Bo, Liu, Zhongyuan, Tian, Yongjun, Gao, Guoying, He, Julong
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container_issue 16
container_start_page
container_title Journal of applied physics
container_volume 121
creator Luo, Kun
Yuan, Xiaohong
Zhao, Zhisheng
Yu, Dongli
Xu, Bo
Liu, Zhongyuan
Tian, Yongjun
Gao, Guoying
He, Julong
description Regular hexagonal boron nitride (h-BN) samples present a few of intrinsic stacking faults, which result in a long-standing controversy about their electronic properties. To resolve this controversy, we designed eight possible BN polytypes with triple-layer periodicity. Under ambient pressure, the energies of all the proposed polytypes are between those of observed AA and Aa (h-BN) structures. Two proposed polytypes with direct bandgaps might be responsible for the direct bandgap observed in the h-BN samples. A model was proposed to show how the proposed structures might exist in the h-BN samples by analyzing the stacking characteristics and the previous experimental micrographs of h-BN samples.
doi_str_mv 10.1063/1.4981892
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subjects Applied physics
Boron nitride
Energy gap
Periodic variations
Photomicrographs
Polytypes
Pressure
Stacking faults
title New hexagonal boron nitride polytypes with triple-layer periodicity
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