4.7 Article

On the origin of enhanced resistive switching behaviors of Ti-doped HfO2 film with nitrogen annealing atmosphere

Journal

SURFACE & COATINGS TECHNOLOGY
Volume 359, Issue -, Pages 150-154

Publisher

ELSEVIER SCIENCE SA
DOI: 10.1016/j.surfcoat.2018.12.042

Keywords

Ti doping; Annealing treatment; Oxygen vacancy; The first-principle calculations; Memristive device

Funding

  1. National Key Research and Development Program [2017YFB0405600]
  2. National Nature Science Foundation of China [61474039, 61774057]
  3. Open Fund of State Key Laboratory on Integrated Optoelectronics [IOSKL2018KF08]

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In this work, the resistive switching (RS) characteristics of Ti-doped HfO2 under different doping concentration and annealing condition were theoretically investigated by using the first-principles calculation method. For a 2 x 2 x 2 HfO2 supercell, the formation energy of an oxygen vacancy (Vo) reaches the minimum when three Hf atoms were substituted by three Ti atoms. Based on the 3-Ti-doped HfO2 supercell model, numerical results show that low oxygen partial pressure, high annealing temperature and N-2 annealing atmosphere would lead to a low Vo formation energy. By calculating the migration energy of a Vo, we found that the Vo tends to migrate near and towards the Ti dopants. The concentration of Vo and N-2 annealing atmosphere are also beneficial for the connection of conducting filaments. Our numerical results show reasonable agreement with previous experiment about the RS performance of ITO/Ti:HfO2/Pt device.

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