Effect of the coexistence of active metals and boron vacancies on the performance of 2D hexagonal boron nitride resistance memory

被引:5
作者
Ding, Cheng [1 ]
Dai, Yuehua [1 ]
Wang, Feifei [1 ]
Li, Xing [1 ]
Gao, Jianhua [1 ]
Yang, Bin [1 ]
Lu, Wenjuan [1 ]
Yang, Fei [1 ]
机构
[1] Anhui Univ, Sch Elect Informat Engn, Hefei 230601, Peoples R China
基金
美国国家科学基金会; 中国国家自然科学基金;
关键词
First-principle; DFT; h-BN; RRAM; Boron vacancy; GRAPHENE; DEFECTS; LAYER; ELECTRODE; DEVICE; FILM;
D O I
10.1016/j.vacuum.2021.110747
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
First-principles calculations were carried out to calculate the formation energy, migration barrier and electronic properties of a resistive memory model based on hexagonal boron nitride (h-BN) in the presence of an active metal and a boron vacancy (VB) using density functional theory (DFT). Following the benchmark of the exchange correlation functional and the calculated parameters of monolayer h-BN, a model of a multilayer h-BN vertical stack with distribution states of SW-5577 defects was proposed. For four active metal dopants (Ti, Ag, Cu and Ni), a preference towards substitution sites (S1) with the lowest dopant formation energies (DFEs) was identified, which enhanced the formation of adjacent VB, especially for the nearest neighbour. Furthermore, a low concentration of Ti dopant in the closest location to the initial position of the migration path would drastically reduce the migration barrier of the VB between layers. Finally, Ti dopants with two and three VB neighbours in the same layer significantly improved the conductivity and the formation of conducting channels because of the improvement of charge distribution in the resistance model, which was demonstrated by DOS plots, banddecomposed charge density and Bader charge. Our present work can provide theoretical guidance for the rational design and device optimization of h-BN-based RRAM devices.
引用
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页数:14
相关论文
共 62 条
[1]  
Abdi M., 2017, ACS PHOTONICS
[2]   1D Selection Device Using Carbon Nanotube FETs for High-Density Cross-Point Memory Arrays [J].
Ahn, Chiyui ;
Jiang, Zizhen ;
Lee, Chi-Shuen ;
Chen, Hong-Yu ;
Liang, Jiale ;
Liyanage, Luckshitha S. ;
Wong, H. -S. Philip .
IEEE TRANSACTIONS ON ELECTRON DEVICES, 2015, 62 (07) :2197-2204
[3]  
[Anonymous], 2015, SCI REP-UK
[4]   Effects of Side-Chain and Electron Exchange Correlation on the Band Structure of Perylene Diimide Liquid Crystals: A Density Functional Study [J].
Arantes, J. T. ;
Lima, M. P. ;
Fazzio, A. ;
Xiang, H. ;
Wei, Su-Huai ;
Dalpian, G. M. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (16) :5376-5380
[5]   Development of Resistive Random Access Memory Simulation Model for Defect Analysis and Testing [J].
Arshad, Norsuhaidah ;
Haron, Nor Zaidi ;
Zakaria, Zahriladha ;
Soin, Norhayati .
ADVANCED SCIENCE LETTERS, 2014, 20 (10-12) :1745-1750
[6]   Electronic structure of defects in a boron nitride monolayer [J].
Azevedo, S. ;
Kaschny, J. R. ;
de Castilho, C. M. C. ;
Mota, F. de Brito .
EUROPEAN PHYSICAL JOURNAL B, 2009, 67 (04) :507-512
[7]  
Barcza G, NPJ COMPUT MATER
[8]   Metal oxide resistive memory switching mechanism based on conductive filament properties [J].
Bersuker, G. ;
Gilmer, D. C. ;
Veksler, D. ;
Kirsch, P. ;
Vandelli, L. ;
Padovani, A. ;
Larcher, L. ;
McKenna, K. ;
Shluger, A. ;
Iglesias, V. ;
Porti, M. ;
Nafria, M. .
JOURNAL OF APPLIED PHYSICS, 2011, 110 (12)
[9]   Resistive switching of HfO2-based Metal-Insulator-Metal diodes: Impact of the top electrode material [J].
Bertaud, T. ;
Walczyk, D. ;
Walczyk, Ch. ;
Kubotsch, S. ;
Sowinska, M. ;
Schroeder, T. ;
Wenger, Ch. ;
Vallee, C. ;
Gonon, P. ;
Mannequin, C. ;
Jousseaume, V. ;
Grampeix, H. .
THIN SOLID FILMS, 2012, 520 (14) :4551-4555
[10]   Hexagonal boron nitride is an indirect bandgap semiconductor [J].
Cassabois, G. ;
Valvin, P. ;
Gil, B. .
NATURE PHOTONICS, 2016, 10 (04) :262-+