Electronic and optical properties of an intrinsic type-I band alignment ZrS2/SnS2 van der Waals heterostructure for optoelectronic devices

Jimin Shang; Shuai Zhang; Yongqiang Wang; Hongyu Wen; Zhongming Wei

doi:10.3788/COL201917.020010

Journals >Chinese Optics Letters >Volume 17 >Issue 2 >Page 020010 > Article

Chinese Optics Letters
Vol. 17, Issue 2, 020010 (2019)

Electronic and optical properties of an intrinsic type-I band alignment ZrS₂/SnS₂ van der Waals heterostructure for optoelectronic devices

Jimin Shang¹, Shuai Zhang², Yongqiang Wang¹, Hongyu Wen^3、*, and Zhongming Wei³

Author Affiliations

¹School of Physics and Electronics Engineering, Zhengzhou University of Light Industry, Zhengzhou 453002, China

²College of Physics and Engineering, Henan University of Science and Technology, Luoyang 471023, China

³State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences & Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100083, China

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DOI: 10.3788/COL201917.020010 Cite this Article Set citation alerts

Jimin Shang, Shuai Zhang, Yongqiang Wang, Hongyu Wen, Zhongming Wei. Electronic and optical properties of an intrinsic type-I band alignment ZrS₂/SnS₂ van der Waals heterostructure for optoelectronic devices[J]. Chinese Optics Letters, 2019, 17(2): 020010 Copy Citation Text

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Fig. 1. (a) Top and (b) side view of the SnS2 (ZrS2) monolayers; the primitive unit cell is represented by the dashed lines.

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Fig. 2. Band structures and the projected density of states (PDOS) of the (a) SnS2 and (b) ZrS2 monolayers.

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Fig. 3. Top and side view of the AA, AB, and AC stacking of the ZrS2/SnS2 vdW heterostructure (the purple atom is Sn, the yellow atom is S, and the green atom is Zr).

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Fig. 4. (a) Projected band structure of the ZrS2/SnS2 heterobilayer. (b) The band alignments of the isolated ZrS2 and SnS2 monolayers and the heterostructure.

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Fig. 5. Optical absorption coefficient of the isolated monolayers and the heterostructure.

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Fig. 6. (a) and (b) are the projected band structures under the electric field 0.4 V/Å and −0.4 V/Å, respectively. (c) and (d) are the relevant partial charge densities of the CBM and VBM.

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