First-principles simulation of oxygen diffusion in HfOx: Role in the resistive switching mechanism

被引:89
作者
Clima, S. [1 ]
Chen, Y. Y. [1 ,2 ]
Degraeve, R. [1 ]
Mees, M. [1 ,2 ]
Sankaran, K. [1 ,3 ,4 ]
Govoreanu, B. [1 ]
Jurczak, M. [1 ]
De Gendt, S. [1 ,2 ]
Pourtois, G. [1 ,5 ]
机构
[1] IMEC, B-3001 Louvain, Belgium
[2] Katholieke Univ Leuven, B-3001 Louvain, Belgium
[3] Catholic Univ Louvain, ETSF, B-1348 Louvain, Belgium
[4] Catholic Univ Louvain, IMCN, B-1348 Louvain, Belgium
[5] Univ Antwerp, PLASMANT, B-2610 Antwerp, Belgium
关键词
THRESHOLD VOLTAGE INSTABILITIES; MOLECULAR-DYNAMICS; GATE; DEFECTS; OXIDE;
D O I
10.1063/1.3697690
中图分类号
O59 [应用物理学];
学科分类号
摘要
Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690]
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页数:4
相关论文
共 26 条
[1]   ABSENCE OF DIFFUSION IN CERTAIN RANDOM LATTICES [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1958, 109 (05) :1492-1505
[2]  
Belashchenko DK, 1999, USP FIZ NAUK+, V169, P361, DOI 10.1070/PU1999v042n04ABEH000583
[3]   Migration of oxygen vacancy in HfO2 and across the HfO2/SiO2 interface:: A first-principles investigation [J].
Capron, Nathalie ;
Broqvist, Peter ;
Pasquarello, Alfredo .
APPLIED PHYSICS LETTERS, 2007, 91 (19)
[4]   Structural and dielectric properties of amorphous ZrO2 and HfO2 [J].
Ceresoli, Davide ;
Vanderbilt, David .
PHYSICAL REVIEW B, 2006, 74 (12)
[5]   Ab initio molecular dynamics simulations of properties of a-Al2O3/vacuum and a-ZrO2/vacuum vs a-Al2O3/Ge(100)(2x1) and a-ZrO2/Ge(100)(2x1) interfaces [J].
Chagarov, Evgueni A. ;
Kummel, Andrew C. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (12)
[6]  
Edwards C., 2008, ENG TECHNOL, V3, P38
[7]   Accelerated molecular dynamics simulation of thin-film growth with the bond-boost method [J].
Fichthorn, Kristen A. ;
Miron, Radu A. ;
Wang, Yushan ;
Tiwary, Yogesh .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (08)
[8]   Unified Physical Model of Bipolar Oxide-Based Resistive Switching Memory [J].
Gao, Bin ;
Sun, Bing ;
Zhang, Haowei ;
Liu, Lifeng ;
Liu, Xiaoyan ;
Han, Ruqi ;
Kang, Jinfeng ;
Yu, Bin .
IEEE ELECTRON DEVICE LETTERS, 2009, 30 (12) :1326-1328
[9]  
Gonon P., 2010, 2010 10 IEEE INT C S, P1124
[10]  
Govoreanu B, 2011, 2011 IEEE INTERNATIONAL ELECTRON DEVICES MEETING (IEDM)