Tunable metal-insulator transition in LaTiO3/CaVO3 superlattices: A theoretical study

doi:10.1088/1674-1056/abc237

中国物理B ›› 2020, Vol. 29 ›› Issue (12): 127303-.doi: 10.1088/1674-1056/abc237

收稿日期:2020-05-14 修回日期:2020-10-12 接受日期:2020-10-17 出版日期:2020-12-01 发布日期:2020-11-26

Tunable metal-insulator transition in LaTiO₃/CaVO₃ superlattices: A theoretical study

Ya-Kui Weng(翁亚奎)^1,†, Meng-Lan Shen(沈梦兰)², Jie Li(李杰)³, and Xing-Ao Li(李兴鳌)^1,‡

¹ School of Science, Nanjing University of Posts and Telecommunications, Nanjing 210023, China; ² School of Materials Science and Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210023, China; ³ Grünberg Research Center, Nanjing University of Posts and Telecommunications, Nanjing 210023, China

Received:2020-05-14 Revised:2020-10-12 Accepted:2020-10-17 Online:2020-12-01 Published:2020-11-26
Contact: ^†Corresponding author. E-mail: wyk@njupt.edu.cn ^‡Corresponding author. E-mail: lixa@njupt.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11804168 and 51872145), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20180736 and BK20190726), the Natural Science Foundation of the Jiangsu Higher Education Institutions of China (Grant No. 18KJB140009), and the Science Foundation from Nanjing University of Posts and Telecommunications, China (Grant No. NY219026).

摘要/Abstract

Abstract: As one of intriguing physical results of electronic reconstruction, the metal-insulator transition plays an important role in exploring new electronic devices. In this study, the density functional theory is employed to investigate the metal-insulator transition in (LaTiO₃)_m/(CaVO₃)_n superlattices. Herein, three kinds of physical avenues, i.e., stacking orientation, epitaxial strain, and thickness periods, are used to tune the metal-insulator transition. Our calculations find that the [001]-and [110]-oriented (LaTiO₃)₁/(CaVO₃)₁ superlattices on SrTiO₃ substrate are insulating, while [111]-oriented case is metallic. Such metallic behavior in [111] orientation can also be modulated by epitaxial strain. Besides the structural orientation and strain effect, the highly probable metal-insulator transition is presented in (LaTiO₃)_m/(CaVO₃)_n superlattices with increasing thickness. In addition, several interesting physical phenomena have also been revealed, such as selective charge transfer, charge ordering, and orbital ordering.

Key words: metal-insulator transition, superlattices, charge transfer

中图分类号: (Superlattices)

73.21.Cd

71.30.+h (Metal-insulator transitions and other electronic transitions) 73.20.At (Surface states, band structure, electron density of states)

. [J]. 中国物理B, 2020, 29(12): 127303-.

Ya-Kui Weng(翁亚奎), Meng-Lan Shen(沈梦兰), Jie Li(李杰), and Xing-Ao Li(李兴鳌). Tunable metal-insulator transition in LaTiO₃/CaVO₃ superlattices: A theoretical study[J]. Chin. Phys. B, 2020, 29(12): 127303-.

参考文献

[1] Dagotto E Science 309 257 DOI: 10.1126/science.11075592005
[2] Dong S, Liu J M, Cheong S W and Ren Z Adv. Phys. 64 519 DOI: 10.1080/00018732.2015.11143382015
[3] Dong S and Liu J M Mod. Phys. Lett. B 26 1230004 DOI: 10.1142/S02179849123000492012
[4] Picozzi S and Ederer C J. Phys.: Condens. Matter 21 303201 DOI: 10.1088/0953-8984/21/30/3032012009
[5] Imada M, Fujimori A and Tokura Y Rev. Mod. Phys. 70 1039 DOI: 10.1103/RevModPhys.70.10391998
[6] Kim B, Liu P, Tomczak J M and Franchini C Phys. Rev. B 98 075130 DOI: 10.1103/PhysRevB.98.0751302018
[7] Golalikhani M, Lei Q, Chandrasena R, Kasaei L, Park H, Bai J, Orgiani P, Ciston J, Sterbinsky G, Arena D, Shafer P, Arenholz E, Davidson B, Millis A, Gray A and Xi X Nat. Commun. 9 2206 DOI: 10.1038/s41467-018-04546-52018
[8] Paul A, Mukherjee A, Dasgupta I, Paramekanti A and Dasgupta T S Phys. Rev. Lett. 122 016404 DOI: 10.1103/PhysRevLett.122.0164042019
[9] Peil O E, Hampel A, Ederer C and Georges A Phys. Rev. B 99 245127 DOI: 10.1103/PhysRevB.99.2451272019
[10] Shen M L, Weng Y K, Yi Y W, Geng Q F, Yan W, Wang H Y, Yang J P and Li X A J. Appl. Phys. 126 085307 DOI: 10.1063/1.51020762019
[11] Liu H D Chin. Phys. B 28 107102 DOI: 10.1088/1674-1056/ab42792019
[12] Yang L J, Wu L Z and Dong S Chin. Phys. B 24 127702 DOI: 10.1088/1674-1056/24/12/1277022015
[13] Guo H W, Noh J, Dong S, Rack P, Gai Z, Xu X S, Dagotto E, Shen J and Ward T Nano Lett. 13 3749 DOI: 10.1021/nl40168422013
[14] Saleem M S, Song C, Peng J J, Cui B, Li F, Gu Y D and Panb F Appl. Phys. Lett. 110 072406 DOI: 10.1063/1.49767002017
[15] Beck S, Sclauzero G, Chopra U and Ederer C Phys. Rev. B 97 075107 DOI: 10.1103/PhysRevB.97.0751072018
[16] Ruzmetov D, Gopalakrishnan G, Ko C, Narayanamurti V and Ramanathan S J. Appl. Phys. 107 114516 DOI: 10.1063/1.34088992010
[17] Scherwitzl R, Zubko P, Lezama I G, Ono S, Morpurgo A F, Catalan G and Triscone J M Adv. Mater. 22 5517 DOI: 10.1002/adma.v22.482010
[18] Zhang K H L, Du Y, Sushko P V, Bowden M E, Shutthanandan V, Sallis S, Piper L F J and Chambers S A Phys. Rev. B 91 155129 DOI: 10.1103/PhysRevB.91.1551292015
[19] Lee J H and Rabe K M Phys. Rev. Lett. 107 067601 DOI: 10.1103/PhysRevLett.107.0676012011
[20] Dagotto E Science 318 1076 DOI: 10.1126/science.11510942007
[21] Mannhart J and Schlom D G Science 327 1607 DOI: 10.1126/science.11818622010
[22] Takagi H and Hwang H Y Science 327 1601 DOI: 10.1126/science.11825412010
[23] Hammerl G and Spaldin N Science 332 922 DOI: 10.1126/science.12062472011
[24] Bhattacharya A, May S J, Velthuis S G E te, Warusawithana M, Zhai X, Jiang B, Zuo J M, Fitzsimmons M R, Bader S D and Eckstein J N Phys. Rev. Lett. 100 257203 DOI: 10.1103/PhysRevLett.100.2572032008
[25] Dong S, Yu R, Yunoki S, Alvarez G, Liu J M and Dagotto E Phys. Rev. B 78 201102 DOI: 10.1103/PhysRevB.78.2011022008
[26] Aruta C, Adamo C, Galdi A, Orgiani P, Bisogni V, Brookes N B, Cezar J C, Thakur P, Perroni C A, Filippis G D, Cataudella V, Schlom D G, Maritato L and Ghiringhelli G Phys. Rev. B 80 140405 DOI: 10.1103/PhysRevB.80.1404052009
[27] Nanda B R K and Satpathy S Phys. Rev. B 79 054428 DOI: 10.1103/PhysRevB.79.0544282009
[28] Ohtomo A and Hwang H Y Nature 427 423 DOI: 10.1038/nature023082004
[29] Niu W, Chen Y D, Gan Y L, Zhang Y, Zhang X Q, Yuan X, Cao Z, Liu W Q, Xu Y B, Zhang R, Pryds N, Chen Y Z, Pu Y and Wang X F Appl. Phys. Lett. 115 061601 DOI: 10.1063/1.51088132019
[30] Cwik M, Lorenz T, Baier J, Muller R, Andre G, Bouree F, Lichtenberg F, Freimuth A, Schmitz R, Muller-Hartmann E and Braden M Phys. Rev. B 68 060401 DOI: 10.1103/PhysRevB.68.0604012003
[31] Chamberland B L and Danielson P S J. Solid State Chem. 3 243 DOI: 10.1016/0022-4596(71)90035-11971
[32] Komarek A C, Roth H, Cwik M, Stein W D, Baier J, Kriener M, Bourèe F, Lorenz T and Braden M Phys. Rev. B 75 224402 DOI: 10.1103/PhysRevB.75.2244022007
[33] Falcon H, Alonso J A, Casais M T, Martinez-Lope M J and Sanchez-Benitez J J. Solid State Chem. 177 3099 DOI: 10.1016/j.jssc.2004.05.0102004
[34] Perdew J P, Ruzsinszky A, Csonka G I, Vydrov O A, Scuseria G E, Constantin L A, Zhou X and Burke K Phys. Rev. Lett. 100 136406 DOI: 10.1103/PhysRevLett.100.1364062008
[35] Kresse G and Hafner J Phys. Rev. B 47 558 DOI: 10.1103/PhysRevB.47.5581993
[36] Kresse G and Furthmüller J Phys. Rev. B 54 11169 DOI: 10.1103/PhysRevB.54.111691996
[37] Dudarev S L, Botton G A, Savrasov S Y, Humphreys C J and Sutton A P Phys. Rev. B 57 1505 DOI: 10.1103/PhysRevB.57.15051998
[38] Zhang H M, Weng Y K, Yao X Y and Dong S Phys. Rev. B 91 195145 DOI: 10.1103/PhysRevB.91.1951452015
[39] Park S Y, Kumar A and Rabe K M Phys. Rev. Lett. 118 087602 DOI: 10.1103/PhysRevLett.118.0876022017
[40] Weng Y K, Zhang J J, Gao B and Dong S Phys. Rev. B 95 155117 DOI: 10.1103/PhysRevB.95.1551172017
[41] Dong S, Zhang Q F, Yunoki S, Liu J M and Dagotto E Phys. Rev. B 86 205121 DOI: 10.1103/PhysRevB.86.2051212012
[42] Rondinelli J M and Spaldin N A Adv. Mater. 23 3363 DOI: 10.1002/adma.2011011522011
[43] Kumar D, David A, Fouchet A, Pautrat A, Varignon J, Jung C U, Lders U, Domengs B, Copie O, Ghosez P and Prellier W Phys. Rev. B 99 224405 DOI: 10.1103/PhysRevB.99.2244052019
[44] Lu H S and Guo G Y Phys. Rev. B 99 104405 DOI: 10.1103/PhysRevB.99.1044052019
[45] Weng Y K, Huang X, Tang Y K and Dong S 2014 J. Appl. Phys. 115 17E108 DOI: 10.1063/1.4860016
[46] An M, Weng Y K, Zhang H M, Zhang J J, Zhang Y and Dong S Phys. Rev. B 96 235112 DOI: 10.1103/PhysRevB.96.2351122017
[47] Wang X R, Li C J, Lü W M, Paudel T R, Leusink D P, Hoek M, Poccia N, Vailionis A, Venkatesan T, Coey J M D, Tsymbal E Y, Ariando and Hilgenkamp H Science 349 716 DOI: 10.1126/science.aaa51982015
[48] He X and Jin K J Phys. Rev. B 93 161108 DOI: 10.1103/PhysRevB.93.1611082016
[49] Varignon J, Bibes M and Zunger A Nat. Commun. 10 1658 DOI: 10.1038/s41467-019-09698-62019

Tunable metal-insulator transition in LaTiO₃/CaVO₃ superlattices: A theoretical study

RichHTML

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Junkai Jiang(蒋俊锴), Faran Chang(常发冉), Wenguang Zhou(周文广), Nong Li(李农), Weiqiang Chen(陈伟强), Dongwei Jiang(蒋洞微), Hongyue Hao(郝宏玥), Guowei Wang(王国伟), Donghai Wu(吴东海), Yingqiang Xu(徐应强), and Zhi-Chuan Niu(牛智川). High-performance extended short-wavelength infrared PBn photodetectors based on InAs/GaSb/AlSb superlattices[J]. 中国物理B, 2023, 32(3): 38503-038503.
[2]	Ruirui Niu(牛锐锐), Xiangyan Han(韩香岩), Zhuangzhuang Qu(曲壮壮), Zhiyu Wang(王知雨), Zhuoxian Li(李卓贤), Qianling Liu(刘倩伶), Chunrui Han(韩春蕊), and Jianming Lu(路建明). Correlated states in alternating twisted bilayer-monolayer-monolayer graphene heterostructure[J]. 中国物理B, 2023, 32(1): 17202-017202.
[3]	Jiahao Yuan(袁嘉浩), Mengzhou Liao(廖梦舟), Zhiheng Huang(黄智恒), Jinpeng Tian(田金朋), Yanbang Chu(褚衍邦), Luojun Du(杜罗军), Wei Yang(杨威), Dongxia Shi(时东霞), Rong Yang(杨蓉), and Guangyu Zhang(张广宇). Precisely controlling the twist angle of epitaxial MoS₂/graphene heterostructure by AFM tip manipulation[J]. 中国物理B, 2022, 31(8): 87302-087302.
[4]	Xin Liu(刘欣), Qing-Hao Meng(孟庆昊), Jing Ding(丁晶), Zhi-Chen Bai(白志晨), Jia-Hui Wang(王佳慧), Cong Zhang(张聪), Bo Su(苏波), and Cun-Lin Zhang(张存林). Terahertz generation and detection of LT-GaAs thin film photoconductive antennas excited by lasers of different wavelengths[J]. 中国物理B, 2022, 31(2): 28701-028701.
[5]	Huihui He(何慧卉) and Shenyuan Yang(杨身园). First-principles study on improvement of two-dimensional hole gas concentration and confinement in AlN/GaN superlattices[J]. 中国物理B, 2022, 31(1): 17104-017104.
[6]	Pei Zhang(张培), Tao Ouyang(欧阳滔), Chao Tang(唐超), Chaoyu He(何朝宇), Jin Li(李金), Chunxiao Zhang(张春小), and Jianxin Zhong(钟建新). Excellent thermoelectric performance predicted in Sb₂Te with natural superlattice structure[J]. 中国物理B, 2021, 30(12): 128401-128401.
[7]	Noah F. Q. Yuan. Projective representation of D₆ group in twisted bilayer graphene[J]. 中国物理B, 2021, 30(7): 70311-070311.
[8]	. [J]. 中国物理B, 2021, 30(1): 17301-.
[9]	. [J]. 中国物理B, 2021, 30(1): 17303-.
[10]	. [J]. 中国物理B, 2021, 30(1): 17305-.
[11]	. [J]. 中国物理B, 2020, 29(12): 128104-.
[12]	朱兴川, 应涛, 郭怀明, 冯世平. Quantum Monte Carlo study of the dominating pairing symmetry in doped honeycomb lattice[J]. 中国物理B, 2019, 28(7): 77401-077401.
[13]	张天然, 方芳, 王小兰, 张建立, 吴小明, 潘栓, 刘军林, 江风益. Aging mechanism of GaN-based yellow LEDs with V-pits[J]. 中国物理B, 2019, 28(6): 67305-067305.
[14]	郭西华, 徐天赋, 刘承师. Topologically protected edge gap solitons of interacting Bosons in one-dimensional superlattices[J]. 中国物理B, 2018, 27(6): 60307-060307.
[15]	徐建星, 李金伦, 魏思航, 马奔, 张翼, 张宇, 倪海桥, 牛智川. Optimization of wide band mesa-type enhanced terahertz photoconductive antenna at 1550 nm[J]. 中国物理B, 2017, 26(8): 88702-088702.