Electrical Transport Properties of Two-Dimensional BC6N/BN Lateral Heterostructure

doi:10.16553/j.cnki.issn1000-985x.2024.0291

Abstract

Abstract: The two-dimensional heterostructures have outstanding physical and chemical properties that make them promising applications in nanoelectronic devices. A novel BC₆N/BN lateral heterostructure was constructed， and the structural stability， electronic structure， conductivity and volt-ampere characteristics of BC₆N/BN lateral heterostructure were investigated by the first-principles combined with the non-equilibrium Green's function. The BC₆N/BN lateral heterostructure not only exhibits dynamic stability but also possesses a direct bandgap of 2.01 eV， static potential difference generated at heterojunction interface， electrons and holes form an electrical barrier at the interface. Compared to the BC₆N and BN monolayers， the conductivity of BC₆N/BN lateral heterostructure is significantly reduced and exhibits strong anisotropy. The volt-ampere characteristics of the BC₆N/BN lateral heterostructure show that almost no current is generated in the voltage range of 0 to 2.5 V. After the forward voltage exceeds 3 V， the current shows a linear increase trend； during the process of increasing the reverse voltage from 3 V to 5.5 V， there is only a weak current. When the reverse voltage exceeds 5.5 V， the current increases nonlinearly. Therefore， the BC₆N/BN lateral heterostructure has anisotropic conductivity and unidirectional conductivity characteristics， which can provide the important theoretical basis for the design and preparation of nanoelectronics devices.

Key words: lateral heterostructure; BC₆N/BN; electrical transport property; electronic structure; first-principle

CLC Number:

O472

XIE You, XIAO Xiaosa, JIANG Ningning, ZHANG Tao. Electrical Transport Properties of Two-Dimensional BC₆N/BN Lateral Heterostructure[J]. Journal of Synthetic Crystals, 2025, 54(5): 825-831.

Figures/Tables 9

Fig.1 Structures of BC6N and BN orthogonal cell

Fig.2 Structures of BC6N/BN lateral heterostructure

Fig.3 Phonon spectra of the most stable BC6N/BN lateral heterostructure

Fig.4 Band structures of BC6N， BN and BC6N/BN

Fig.5 Average electrostatic potential of BC6N/BN lateral heterostructure

Fig.6 Charge density difference of BC6N/BN lateral heterostructure

Fig.7 Electronic conductivity of BC6N， BN and BC6N/BN

Fig. 8 Analog access circuit diagram of BC6N/BN lateral heterostructure

Fig.9 Voltage-ampere curve of BC6N/BN lateral heterostructure

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Electrical Transport Properties of Two-Dimensional BC₆N/BN Lateral Heterostructure

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References 28

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