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Greatly enhanced tunneling electroresistance in ferroelectric tunnel junctions with a double barrier design
发布时间:2023-09-19

Greatly enhanced tunneling electroresistance in ferroelectric tunnel junctions with a double barrier design

   Wei Xiao, Xiaohong Zheng*, Hua Hao, Lili Kang, Lei Zhang* & Zhi Zeng  
 

    npj Computational Materials 9: 144 (2023)
   doi.org/10.1038/s41524-023-01101-9
    Published online: 14 August 2023
   AbstractFull Text | PDF OPEN
  

  
Abstract: We propose that the double barrier effect is expected to enhance the tunneling electroresistance (TER) in the ferroelectric tunnel junctions (FTJs). To demonstrate the feasibility of this mechanism, we design a model structure of Pt/BaTiO3/LaAlO3/Pt/BaTiO3/ LaAlO3/Pt double barrier ferroelectric tunnel junction (DB-FTJ), which can be considered as two identical Pt/BaTiO3/LaAlO3/Pt single barrier ferroelectric tunnel junctions (SB-FTJs) connected in series. Based on density functional calculation, we obtain the giant TER ratio of 2.210 108% in the DB-FTJ, which is at least three orders of magnitude larger than that of the SB-FTJs of Pt/BaTiO3/LaAlO3/Pt, together with an ultra-low resistance area product (0.093 K m2) in the high conductance state of the DB-FTJ. Moreover, it is possible to control the direction of polarization of the two single ferroelectric barriers separately and thus four resistance states can be achieved, making DB-FTJs promising as multi-state memory devices.
摘要:  我们提出双势垒效应有望增强铁电隧道结(FTJs)的隧道电致电阻比率(TER)。为了证明这一机制的可行性,我们设计了Pt/BaTiO3/LaAlO3/Pt/BaTiO3/LaAlO3/Pt双势垒铁电隧道结(DB-FTJ)模型结构,它可以被认为是两个相同的Pt/BaTiO3/LaAlO3/Pt单势垒铁电隧道结(SB-FTJs)串联在一起。基于密度泛函理论计算,我们在双势垒铁电隧道结中获得了2.210 108%的巨大隧穿电致电阻比率,这一值比Pt/BaTiO3/LaAlO3/Pt单势垒铁电隧道结的隧穿电致电阻比率至少大3个数量级,并且该双势垒铁电隧道结的高电导状态下具有超低的电阻面积乘积(0.093 K m2)。此外,通过分别控制两个单独的铁电势垒的极化方向,我们可以在双势垒铁电隧道结中实现四种电阻状态,使其有望成为多态存储器件。
Editorial Summary

Enhancing the tunneling electroresistance of ferroelectric tunnel junctions

As an important candidate for non-volatile memory, ferroelectric tunnel junctions (FTJs) have attracted extensive research interests in recent years. The FTJs are usually a three-layer structure, with metal electrodes on the left and right sides, and ferroelectric materials as the tunnel barriers. When the polarization direction of the intermediate ferroelectric material is reversed, it usually causes a large change in the conductance of the FTJs, resulting in two different states with high and low conductance, which can be used as the ON and OFF states in binary memory units. The degree of the conductance change between the two polarization states is characterized by the tunneling electroresistance (TER) ratio, which is defined as TER=(G_ON-G_OFF )/G_OFF 100%, where G_ON and G_OFF represent the conductances of the ON and OFF states, respectively. How to develop new methods and obtain higher TER is always one of the key problems in the research of FTJs. In regard of this, based on the analysis of current quantum transport theory, the team lead by Prof. Xiaohong Zheng in Nanjing Forestry University and Prof. Lei Zhang in Shanxi University, proposed that the double barrier design could be introduced into the FTJs to greatly enhance the TER ratio, and the idea is verified by first principles calculations. They designed the Pt/BaTiO3/LaAlO3/Pt/BaTiO3/LaAlO3/Pt double barrier ferroelectric tunnel junction (DB-FTJ)[Fig. 1a] and performed density functional theory calculations to simulate its transport properties. It is found that, the switching between the ferroelectric left and right polarization states produces a huge tunneling electroresistance of 2.210 108% in the DB-FTJ proposed (which indicates that there is a huge difference in transmission coefficient between the two polarization states, as shown in Fig. 1b), which is at least three orders of magnitude larger than that of the Pt/BaTiO3/LaAlO3/Pt single barrier ferroelectric tunnel junction (SB-FTJ). The basic idea is rooted in two facts: 1) The transmission coefficient of a double barrier structure composed by two barriers in series is closely related to the product of the transmission coefficients of the two single barriers; 2) The square of positive numbers larger than 1 will increase exponentially. This idea is perfectly revealed in the DB-FTJ. The authors also proposed that two extra polarization states with head-to-head and tail-to-tail ferroelectric polarizations can be achieved by separately controlling the polarization direction of each barrier, which leads to multiple resistance states (Fig. 2). This study demonstrates that, in the design of FTJs, the double barrier structure can greatly enhance the TER ratio of FTJs and make them promising for multi-state data storage. 
1+1>>2:双势垒结构显著增强铁电隧道结的隧穿电致电阻效应

铁电隧道结作为非易失性存储器的重要候选者近年来引起了人们广泛的研究兴趣。铁电隧道结通常为三层结构,左右两侧为金属电极,中间势垒层为铁电材料。中间铁电层在外加电场下发生极化方向反转时通常会导致铁电隧道结的隧穿电阻发生很大变化,表现出高电导和低电导两个不同的导电状态。这两种极化态下隧道结的导电性差异用隧穿电致电阻(TER)比率来表征,这个参数的值越大越有利于区分这两个不同的状态。如何发展新的方法以获得更高的TER比率一直是铁电隧道结研究中的核心科学问题之一。针对该问题,南京林业大学郑小宏教授与山西大学张磊教授研究团队基于已有的量子输运理论提出可以在铁电隧道结中引入双势垒结构来极大增强隧穿电致电阻效应,并且通过第一性原理计算验证了该想法。他们设计了Pt/BaTiO3/LaAlO3/Pt/BaTiO3/LaAlO3/Pt双势垒铁电隧道结(图1a),并利用密度泛函计算对其输运性质展开了研究。结果发现,铁电左极化态和右极化态之间的反转可以在该铁电隧道结中实现2.210 108%的巨大TER比率(这表明两种极化态之间透射系数存在巨大差异,如图1b),这一数值比Pt/BaTiO3/LaAlO3/Pt单势垒铁电隧道结的TER比率至少大3个数量级。其基本思想在于,微观尺度下,电子通过串联的两个势垒的透射函数大小与通过两个单一势垒的透射函数的乘积密切相关,以及一个大于1的数平方以后和原数相比呈指数增长变化。这一思想在双势垒铁电隧道结中得到了很好的体现。文中还提出了通过外加电压单独控制每一个势垒的极化方向,可以在双势垒铁电隧道结中实现极化头对头和尾对尾的两个额外的铁电极化态,从而得到多个电阻态(图2)。该研究表明在铁电隧道结设计中,可以利用双势垒结构显著增强其隧穿电致电阻特性并拓展其功能实现多态存储。

 
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