|
|
|
Optimal migration path of Ag in HfO2: A first-principles study |
| Dai Yue-Hua (代月花)a, Chen Zhen (陈真)a, Jin Bo (金波)a, Li Ning (李宁)a, Li Xiao-Feng (李晓风)b |
a Institute of Electronic and Information Engineering, Anhui University, Hefei 230601, China;
b Internet Network Information Center, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031, China |
|
|
|
|
Abstract First-principles calculations are used to investigate the migration path of Ag in the HfO2-based resistive random access memory (ReRAM). The formation energy calculation suggests that there are two different sites (site 1 and site 3) for the incorporation of Ag atoms into the HfO2 unit cell. Thermodynamic analysis shows that the motion of Ag atom in the HfO2 supercell appears to be anisotropic, which is due to the fact that the Ag atom at site 3 moves along the [111] orientation, but the Ag atom at site 1 moves along the [001] orientation. The migration barriers of the Ag atoms hopping between neighboring unit cells are calculated along five different orientations. Difficulty in producing motion of the Ag atom varies with the migration barrier: this motion is minimized along [111] orientation. Furthermore, The optimal circulation path for Ag migration within the HfO2 supercells is obtained, and is found to be approximately along the [111] orientation. Therefore, it is proposed that the positive voltage should be applied along this orientation, the conduction filament may form more easily, which could improve the response time and reduce the power consumption in ReRAM applications.
|
Received: 16 January 2015
Revised: 21 February 2015
Accepted manuscript online:
|
|
PACS:
|
31.15.A-
|
(Ab initio calculations)
|
| |
71.15.-m
|
(Methods of electronic structure calculations)
|
| |
71.15.Pd
|
(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
|
| |
85.35.-p
|
(Nanoelectronic devices)
|
|
| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 61376106). |
Corresponding Authors:
Dai Yue-Hua
E-mail: daiyuehua2013@163.com
|
Cite this article:
Dai Yue-Hua (代月花), Chen Zhen (陈真), Jin Bo (金波), Li Ning (李宁), Li Xiao-Feng (李晓风) Optimal migration path of Ag in HfO2: A first-principles study 2015 Chin. Phys. B 24 073101
|
| [1] |
Waser R and Aono M 2007 Nat. Mater. 6 833
|
| [2] |
Schroeder H, Pandian R and Miao J 2011 Phys. Status Solidi A 208 300
|
| [3] |
Yang J J, Strukov D B and Stewart D R 2013 Nat. Nanotechnol. 8 13
|
| [4] |
Lu W, Jeong D S, Kozicki M and Waser R 2012 MRS Bull. 37 124
|
| [5] |
Li Y T, Long S B, Lu H B, Liu Q, Wang Q, Wang Y, Zhang S, Lian W T, Liu S and Liu M 2011 Chin. Phys. B 20 017305
|
| [6] |
Lei X Y, Liu H X, Gao H X, Yang H N, Wang G M, Long S B, Ma X H and Liu M 2014 Chin. Phys. B 23 117305
|
| [7] |
Gonon P, Mougenot M, Vallée C, Jorel C, Jousseaume V, Grampeix H, and El Kamel F 2010 J. Appl. Phys. 107 074507
|
| [8] |
Kerber A and Cartier E A 2009 IEEE Trans. Dev. Mater. Reliab. 9 147
|
| [9] |
Wang Y, Liu Q, Long S B, Wang W, Wang Q, Zhang M H, Zhang S, Li Y T, Zuo Q Y, Yang J H and Liu M 2010 Nanotechnology 21 045202
|
| [10] |
Waser R, Dittmann R, Staikov G and Szot K 2009 Adv. Mater. 21 2632
|
| [11] |
Liu Q, Sun J, Lv H B, Long S B, Yin K B, Wang N, Li Y T, Sun L T and Liu M 2012 Adv. Mater. 24 1844
|
| [12] |
Tian X Z, Yang S Z, Zeng M, Wang L F, Wei J K, Xu Z, Wang W L and Bai X D 2014 Adv. Mater. 26 3649
|
| [13] |
Yang J J, Gao P, Li L, Pan X, Tappertzhofen S, Choi S, Waser R, Valov I, and Lu W D 2014 Nat Commun. 5 4232
|
| [14] |
Yang Y C, Pan F, Liu Q, Liu M and Zeng F 2009 Nano Lett. 9 1636
|
| [15] |
Wang Z W, Shu D J, Wang M and Ming N B 2012 Surf. Sci. 606 186
|
| [16] |
Zhu L G, Hu Q M and Yang R 2014 J. Phys.: Condens. Matter 26 055602
|
| [17] |
Gu T, Tada T and Watanabe S 2010 ACS. Nano. 4 6477
|
| [18] |
Lu J L, Luo J, Zhao H P, Yang J, Jiang X W, Liu Q, Li X F and Dai Y H 2014 J. Semicond. 35 013001
|
| [19] |
Sun H T, Liu Q, Li C F, Long S B, Lv H B, Bi C, Huo Z L, Li L and Liu M 2014 Adv. Funct. Mater. 24 5679
|
| [20] |
Guo X, Schindler C, Menzel S and Waser R 2007 Appl. Phys. Lett. 91 133513
|
| [21] |
Cabrera E, Olibet S, Glatz-Reichenbach J, Kopecek R, Reinke D and Schubert G 2011 J. Appl. Phys. 110 114511
|
| [22] |
Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
|
| [23] |
Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
|
| [24] |
Hann R E, Suitch P R and Pentecost J L 1985 J. Am. Ceram. Soc. 68 C-285
|
| [25] |
Shűichi N 1984 Mol. Phys. 52 255
|
| [26] |
Andersen H C 1980 J. Chem. Phys. 72 2384
|
| [27] |
Delley B 2000 J. Chem. Phys. 113 7756
|
| [28] |
Zhang J, Liang E J, Sun Q and Jia Y 2012 Chin. Phys. B 21 047201
|
| [29] |
Govind N, Petersen M, Fitzgerald G, King-Smith D and Andzelm J 2003 Comp. Mater. Sci. 28 250
|
| [30] |
Khan M S, Islam M S and Bates D R 1998 J. Phys. Chem. B 102 3099
|
| [31] |
Mulliken R S 1955 J. Chem. Phys. 23 1841
|
| [32] |
Segall M D, Shah R, Pickard C J and Payne M C 1996 Phys. Rev. B 54 16317
|
| [33] |
Zhou M Y, Zhao Q, Zhang W, Liu Q and Dai Y H 2012 J. Semicond. 33 072002
|
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
Altmetric
|
|
blogs
Facebook pages
Wikipedia page
Google+ users
|
Online attention
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
View more on Altmetrics
|
|
|
