THE FIRST PRINCIPLE STUDY OF COMPARISON OF DIVALENT AND TRIVALENT IMPURITY IN RRAM DEVICES USING GGA+U

Ejaz Ahmad Khera, Hafeez Ullah, Muhammad Imran, Hassan Algadi, Fayyaz Hussain () and Rana Muhammad Arif Khalil ()
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Ejaz Ahmad Khera: Biophotonics Imaging Techniques Laboratory, Institute of Physics, The Islamia University of Bahawalpur, Pakistan
Hafeez Ullah: Biophotonics Imaging Techniques Laboratory, Institute of Physics, The Islamia University of Bahawalpur, Pakistan
Muhammad Imran: #x2020;Department of Physics, Government College University Faisalabad, 38000, Pakistan
Hassan Algadi: #x2021;Department of Electrical Engineering, Faculty of Engineering, Najran University, P. O. Box 1988, Najran 11001, Saudi Arabia§Promising Center for Sensors and Electronic Devices (PCSED), Najran University, P. O. Box 1988, Najran 11001, Saudi Arabia
Fayyaz Hussain: #xB6;Materials Simulation Research Laboratory (MSRL), Department of Physics, Bahauddin Zakariya University, Multan Pakistan, 60800, Pakistan
Rana Muhammad Arif Khalil: #xB6;Materials Simulation Research Laboratory (MSRL), Department of Physics, Bahauddin Zakariya University, Multan Pakistan, 60800, Pakistan

Surface Review and Letters (SRL), 2021, vol. 28, issue 06, 1-6

Abstract: Resistive switching (RS) performances had prodigious attention due to their auspicious potential for data storage. Oxide-based devices with metal insulator metal (MIM) structure are more valuable for RS applications. In this study, we have studied the effect of divalent (nickel) as well as trivalent (aluminum) dopant without and with oxygen vacancy (Vo) in hafnia (HfO2)-based resistive random-access memory (RRAM) devices. All calculations are carried out within the full potential linearized augmented plane-wave (FP-LAPW) method based on the WIEN2k code by using generalized gradient approximation (GGA) and generalized gradient approximation with U Hubbard parameters (GGA+U) approach. The studies of the band structure, density of states and charge density reveal that HfNiO2+Vo are more appropriate dopant to enhance the conductivity for RRAM devices.

Keywords: Hafnia; DFT; doping; conduction filament; GGA+U (search for similar items in EconPapers)
Date: 2021
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DOI: 10.1142/S0218625X21500396

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