蛋白质丝
材料科学
哈夫尼亚
离子
电介质
格子(音乐)
凝聚态物理
相(物质)
化学物理
结晶学
分子物理学
化学
物理
复合材料
光电子学
陶瓷
有机化学
立方氧化锆
声学
作者
Ge‐Qi Mao,Kan‐Hao Xue,Ya-Qian Song,Wei Wu,Jun‐Hui Yuan,Li-Heng Li,Huajun Sun,Shibing Long,Xiangshui Miao
出处
期刊:AIP Advances
[American Institute of Physics]
日期:2019-10-01
卷期号:9 (10)
被引量:9
摘要
The exact composition and structure of conductive filaments in hafnia-based memristors are still not fully understood, but recent theoretical investigations reveal that hexagonal HfOx phases close to the h.c.p. Hf structure are probable filament candidates. In this work we list h.c.p. Hf, Hf6O, Hf3O and Hf2O as possible phases for the filament in hafnia memristors. Their differences in lattice parameters, electronic structures and O charge states are studied in details. Migration of O ions for both in-plane and out-of-plane directions in these phases is investigated using first-principles calculations. Both single-phase supercells and filament-in-dielectric models are used for migration barrier calculations, while the latter is proven to be more accurate for the c-direction. The migration of O ions is fastest in metal Hf, while slowest in Hf2O. The existence of O interstitials in Hf tends to hinder the transport of O.
科研通智能强力驱动
Strongly Powered by AbleSci AI