The behaviour of oxygen at metal electrodes in HfO2 based resistive switching devices
The behaviour of oxygen at metal electrodes in HfO2 based resistive switching devices
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DOI：
10.1016/j.mee.2013.03.132
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发表时间：
2013-09-01
影响因子：
2.3
通讯作者：
Shluger, Alexander L.
中科院分区：
文献类型：
--
作者：
Bradley, Samuel R.;McKenna, Keith P.;Shluger, Alexander L.
用密度泛函理论(DFT)研究了Hafnia(HfO2)与栅电极TiN(TiN)和铂(Pt)界面上氧原子和空位的行为。建立了界面模型并计算了能带偏移量。在这两种金属中，氧原子从氧化物进入金属层在能量上是不利的，除非界面氧进入TiN中的N空位。(C)2013爱思唯尔B.V.保留所有权利。
The behavior of oxygen atoms and vacancies at interfaces between hafnia (HfO2) and gate electrodes, titanium nitride (TiN) and Pt, has been studied using density functional theory (DFT). Interface models were developed and the band offsets calculated. In both metals, the incorporation of oxygen atoms from the oxide into the metallic layer was energetically unfavorable, except in the case of interfacial oxygen moving into a N vacancy in TiN. (C) 2013 Elsevier B.V. All rights reserved.