Strain drived band aligment transition of the ferromagnetic VS2/C3N van der Waals heterostructure

doi:10.1088/1674-1056/ac0cd1

中国物理B ›› 2021, Vol. 30 ›› Issue (9): 97507-097507.doi: 10.1088/1674-1056/ac0cd1

所属专题： SPECIAL TOPIC — Two-dimensional magnetic materials and devices

Strain drived band aligment transition of the ferromagnetic VS₂/C₃N van der Waals heterostructure

Jimin Shang(商继敏)¹, Shuai Qiao(乔帅)¹, Jingzhi Fang(房景治)², Hongyu Wen(文宏玉)^2,†, and Zhongming Wei(魏钟鸣)²

1 School of Physics and Electronics Engineering, Zhengzhou University of Light Industry&Henan Key Laboratory of Magnetoelectronic Information Functional Materials, Zhengzhou University of Light Industry, Zhengzhou 450002, China;
2 State 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

收稿日期:2021-04-25 修回日期:2021-06-17 接受日期:2021-06-21 出版日期:2021-08-19 发布日期:2021-08-31
通讯作者: Hongyu Wen E-mail:wenhongyu@semi.ac.cn
基金资助:
Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0207500), Natural Science Foundation of Henan Province, China (Grant No. 202300410507), and Key Research & Development and Promotion Projects in Henan Province, China (Grant No. 212102210134).

Strain drived band aligment transition of the ferromagnetic VS₂/C₃N van der Waals heterostructure

Jimin Shang(商继敏)¹, Shuai Qiao(乔帅)¹, Jingzhi Fang(房景治)², Hongyu Wen(文宏玉)^2,†, and Zhongming Wei(魏钟鸣)²

1 School of Physics and Electronics Engineering, Zhengzhou University of Light Industry&Henan Key Laboratory of Magnetoelectronic Information Functional Materials, Zhengzhou University of Light Industry, Zhengzhou 450002, China;
2 State 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

Received:2021-04-25 Revised:2021-06-17 Accepted:2021-06-21 Online:2021-08-19 Published:2021-08-31
Contact: Hongyu Wen E-mail:wenhongyu@semi.ac.cn
Supported by:
Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0207500), Natural Science Foundation of Henan Province, China (Grant No. 202300410507), and Key Research & Development and Promotion Projects in Henan Province, China (Grant No. 212102210134).

摘要/Abstract

摘要： Exploring two-dimensional (2D) magnetic heterostructures is essential for future spintronic and optoelectronic devices. Herein, using first-principle calculations, stable ferromagnetic ordering and colorful electronic properties are established by constructing the VS₂/C₃N van der Waals (vdW) heterostructure. Unlike the semiconductive properties with indirect band gaps in both the VS₂ and C₃N monolayers, our results indicate that a direct band gap with type-Ⅱ band alignment and p-doping characters are realized in the spin-up channel of the VS₂/C₃N heterostructure, and a typical type-Ⅲ band alignment with a broken-gap in the spin-down channel. Furthermore, the band alignments in the two spin channels can be effectively tuned by applying tensile strain. An interchangement between the type-Ⅱ and type-Ⅲ band alignments occurs in the two spin channels, as the tensile strain increases to 4%. The attractive magnetic properties and the unique band alignments could be useful for prospective applications in the next-generation tunneling devices and spintronic devices.

关键词: two-dimensional ferromagnetic material, van der Waals heterostructure, band alignment, strain

Abstract: Exploring two-dimensional (2D) magnetic heterostructures is essential for future spintronic and optoelectronic devices. Herein, using first-principle calculations, stable ferromagnetic ordering and colorful electronic properties are established by constructing the VS₂/C₃N van der Waals (vdW) heterostructure. Unlike the semiconductive properties with indirect band gaps in both the VS₂ and C₃N monolayers, our results indicate that a direct band gap with type-Ⅱ band alignment and p-doping characters are realized in the spin-up channel of the VS₂/C₃N heterostructure, and a typical type-Ⅲ band alignment with a broken-gap in the spin-down channel. Furthermore, the band alignments in the two spin channels can be effectively tuned by applying tensile strain. An interchangement between the type-Ⅱ and type-Ⅲ band alignments occurs in the two spin channels, as the tensile strain increases to 4%. The attractive magnetic properties and the unique band alignments could be useful for prospective applications in the next-generation tunneling devices and spintronic devices.

Key words: two-dimensional ferromagnetic material, van der Waals heterostructure, band alignment, strain

中图分类号: (Magnetic properties of interfaces (multilayers, superlattices, heterostructures))

75.70.Cn

61.82.Fk (Semiconductors)

Jimin Shang(商继敏), Shuai Qiao(乔帅), Jingzhi Fang(房景治), Hongyu Wen(文宏玉), and Zhongming Wei(魏钟鸣). Strain drived band aligment transition of the ferromagnetic VS₂/C₃N van der Waals heterostructure[J]. 中国物理B, 2021, 30(9): 97507-097507.

参考文献

[1] Dean C R, Young A F, Meric I, Lee C, Wang L, Sorgenfrei S, Watanabe K, Taniguchi T, Kim P, Shepard K L and Hone J 2010 Nat. Nanotechnol. 5 722
[2] Hong X P, Kim J and Shi S F 2014 Nat. Nanotechnol. 9 682
[3] Bonilla M, Kolekar S, Ma Y, Diaz H C, Kalappattil V, Das R, Eggers T, Gutierrez H R, Phan M H and Batzill M 2018 Nat. Nanotechnol. 13 289
[4] O'Hara D J, Zhu T, Trout A H, Ahmed A S, Luo Y K, Lee C H, Brenner M R, Rajan S, Gupta J A, McComb D W and Kawakami R K 2018 Nano Lett. 18 3125
[5] Shang J M, Pan L F, Wang X T, Li J B, Deng H X and Wei Z M 2018 J. Mater. Chem. C 6 7201
[6] Liang S J, Cheng B, Cui X and Miao F 2020 Adv. Mater. 32 1903800
[7] Shang J M, Zhang S, Wang Y Q, Wen H Y and Wei Z M 2019 Chin. Opt. Lett. 17 020010
[8] Tan X Y, Liu L L and Ren D H 2020 Chin. Phys. B 29 076102
[9] González-Herrero H, Gómez-Rodríguez J M, Mallet P, Moaied M, Palacios J J, Salgado C, UgedaM M, Veuillen J Y, Yndurain F and Brihuega I 2016 Science 352 437
[10] Li B, Xing T, Zhong M, Huang L, Lei N, Zhang J, Li J and Wei Z 2017 Nature Commun. 8 1958
[11] Ge J, Luo T, Lin Z, Shi J, Liu Y, Wang P, Zhang Y, Duan W and Wang J 2021 Adv. Mater. 33 2005465
[12] Zhou J, Wang Q, Sun Q and Jena P 2010 Phys. Rev. B 81 085442
[13] Gong C, Li L, Li Z, Ji H, Stern A, Xia Y, Cao T, Bao W, Wang C, Wang Y, Qiu Z Q, Cava R J, Louie S G, Xia J and Zhang X 2017 Nature 546 265
[14] Huang B, Clark G, Navarro-Moratalla E, Klein D R, Cheng R, Seyler K L, Zhong D, Schmidgall E, McGuire M A, Cobden D H, Yao W, Xiao D, Jarillo-Herrero P and Xu X 2017 Nature 546 270
[15] Ma Y, Dai Y, Guo M, Niu C, Zhu Y and Huang B 2012 ACS Nano 6 1695
[16] Zhuang H L and Hennig R G 2016 Phys. Rev. B 93 054429
[17] Xiong W, Xia C, Du J, Wang T, Zhao X, Peng Y, Wei Z and Li J 2017 Phys. Rev. B 95 245408
[18] Du J, Xia C, Xiong W, Wang T, Jia Y and Li J 2017 Nanoscale 9 17585
[19] Yang S, Li W, Ye C, Wang G, Tian H, Zhu C, He P, Ding G, Xie X, Liu Y, Lifshitz Y, Lee S, Kang Z and Jiang M 2017 Adv. Mater. 29 1605625
[20] Mahmood J, Lee E K, Jung M, Shin D, Choi H J, Seo J M, Jung S M, Kim D, Li F, Lah M S, Park N, Shin H J, Oh J H and Baek J B 2016 Proc. Natl. Acad. Sci. USA 113 7414
[21] Mortazavi B 2017 Carbon 118 25
[22] Bafekry A, Farjami Shayesteh S and Peeters F M 2019 J. Phys. Chem. C 123 12485
[23] Xu J T, Mahmood J, Dou Y H, Dou S X, Li F, Dai L M and Baek J B 2017 Adv. Mater. 29 1702007
[24] Makaremi M, Mortazavi B and Singh C V 2017 J. Phys. Chem. C. 121 18575
[25] Mouri S, Miyauchi Y and Matsuda K 2013 Nano Lett. 13 5944
[26] Zhou X, Feng W, Guan S, Fu B, Su W and Yao Y 2017 J. Mater. Res. 32 2993
[27] Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
[28] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[29] Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[30] Dudarev S L, Botton G A, Savrasov S Y, Humphreys C J and Sutton A P 1998 Phys. Rev. B 57 1505
[31] Ma X, Yin L, Zou J, Mi W and Wang X 2019 J. Phys. Chem. C 123 17440
[32] Luo N, Si C and Duan W 2017 Phys. Rev. B 95 205432
[33] Fuh H R, Chang C R, Wang Y K, Evans R F L, Chantrell R W and Jeng H T 2016 Sci. Rep. 6 32625
[34] Grimme S 2006 J. Comput. Chem. 27 1787
[35] Kerber T, Sierka M and Sauer J 2008 J. Comput. Chem. 29 2088
[36] Slassi A and Cornil J 2018 2D Mater. 6 015025
[37] Tagani M B 2018 Comput. Mater. Sci. 153 126
[38] Yang Y X and Wang Z G 2019 RSC Adv. 9 19837
[39] Xie L, Yang L, Ge W, Wang X and Jiang J 2019 Chem. Phys. 520 40
[40] Wang X, Li Q, Wang H, Gao Y, Hou J and Shao J 2018 Phys. B 537 314
[41] Gao X, Shen Y, Ma Y, Wu S and Zhou Z 2019 Appl. Surf. Sci. 479 1098
[42] Yan R, Fathipour S, Han Y, Song B, Xiao S, Li M, Ma N, Protasenko V, Muller D A, Jena D and Xing H G 2015 Nano Lett. 15 5791
[43] Zhang H, Li Y, Yang M, Zhang B, Yang G, Wang S and Wang K 2015 Chin. Phys. B 24 077501
[44] Kan M, Wang B, Lee Y H and Sun Q 2015 Nano Research 8 1348

Strain drived band aligment transition of the ferromagnetic VS₂/C₃N van der Waals heterostructure

Strain drived band aligment transition of the ferromagnetic VS₂/C₃N van der Waals heterostructure

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