Electric field induced electronic properties modification of ZrS2/HfS2 van der Waals heterostructure

Shang Jimin; Zhang Shuai; Cheng Xuerui; Wei Zhongming; Li Jingbo

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Electric field induced electronic properties modification of ZrS2/HfS2 van der Waals heterostructure

机译：电场诱导的电子性能改性Zrs2 / HFS2 van der WaaS的异质结构

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By using first-principles calculations, we investigate the electronic properties of a ZrS2/HfS2 heterostructure modulated by an external electric field. An intrinsic type-I band alignment with an indirect band gap is demonstrated, which can be tuned to become type-II by applying an electric field. The spatial distribution of electron-hole pairs with the lowest energy is accordingly separated between different layers of the heterostructure. Moreover, the band gap exhibits linear variation and a semiconductor-to-metal transition can be realized. The underlying mechanism can be attributed to the linear shifts of band edges along with the quasi-Fermi levels splitting of the respective layers, induced by the charge transfer between layers of the heterostructure driven by the external electric field. Our results provide great application potential of the ZrS2/HfS2 heterostructure in optoelectronic devices.

机译：通过使用第一原理计算，我们研究了由外部电场调制的ZRS2 / HFS2异质结构的电子性质。证明了与间接带隙的内在类型-I频带对准，通过施加电场可以被调谐以成为II型。因此，具有最低能量的电子 - 空穴对的空间分布在异质结构的不同层之间分离。此外，带隙表现出线性变化，并且可以实现半导体到金属转变。底层机构可以归因于带边的线性偏移以及由由外部电场驱动的异质结构层之间的电荷转移引起的相应层的准fermi水平分裂。我们的结果提供了光电器件中ZRS2 / HFS2异质结构的良好应用潜力。

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来源
《RSC Advances》 |2017年第24期|共6页
作者
Shang Jimin; Zhang Shuai; Cheng Xuerui; Wei Zhongming; Li Jingbo;
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作者单位

Zhengzhou Univ Light Ind Sch Phys &

Elect Engn Zhengzhou 453002 Peoples R China;

Henan Univ Sci &

Technol Coll Phys &

Engn Luoyang 471023 Peoples R China;

Zhengzhou Univ Light Ind Sch Phys &

Elect Engn Zhengzhou 453002 Peoples R China;

Chinese Acad Sci Univ Chinese Acad Sci Inst Semicond State Key Lab Superlattices &

Microstruct Beijing 100083 Peoples R China;

Chinese Acad Sci Univ Chinese Acad Sci Inst Semicond State Key Lab Superlattices &

Microstruct Beijing 100083 Peoples R China;

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正文语种 eng
中图分类化学;
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Electric field induced electronic properties modification of ZrS2/HfS2 van der Waals heterostructure

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