A first-principles study of Cu and Al doping in ZrO2 for RRAM device applications

Fayyaz Hussain, Muhammad Imran, R. M.Arif Khalil, M. Atif Sattar, Niaz Ahmad Niaz, Anwar Manzoor Rana, Muhammad Ismail, Ejaz Ahmad Khera, Umbreen Rasheed, Faqeeha Mumtaz, T. Javed, Sungjun Kim

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

First-principle calculations were carried out to calculate formation energy, charge density and electronic properties of doped ZrO2 with and without single oxygen vacancy (Vo) using density functional theory (DFT). Increasing concentration of Al dopant without Vo decreased the conductivity of the system (ZrO2) and vice versa in case of Cu dopant. Isosurface charge density plots confirmed that conducting channels were created in both cases in addition to that Al dopant with Vo improved the conductivity and enhanced conducting channel. The ZrO2 doped with Cu formed conducting channel (metal ions) and enhanced the conductivity, while Cu with Vo was less conductive with shortened conducting channels. These results showed impacts of dopants (metal ions) with and without oxygen vacancy to increase the efficiency of non-volatile RRAM devices. Electronic properties confirmed that ZrO2 with substitutional doping of Al having Vo was comparatively better electrode material for RRAM technology while Cu without Vo. These studies showed that ZrO2 based RRAM devices have an excessive potential for future memory applications.

Original languageEnglish
Article number108842
JournalVacuum
Volume168
DOIs
StatePublished - Oct 2019

Keywords

  • Charge density
  • Conducting filaments
  • Doping
  • RRAM
  • Substitution

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