Theoretical Investigation of Origin of Quantized Conduction in 2D Layered Ruddleson–Popper Perovskite Heterostructure for the RRAM Applications

Umbreen Rasheed, Muhammad Imran (), Abdul Shakoor, Niaz Ahmad Niaz, Fayyaz Hussain (), Rana Muhammad Arif Khalil, Mohammad Alkhedher and Sayed M. Eldin
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Umbreen Rasheed: Materials Simulation Research Laboratory (MSRL), Institute of Physics, BahauddinZakariya University, Multan 60800, Pakistan
Muhammad Imran: Department of Physics, Government College University Faisalabad, Faisalabad 38000, Pakistan
Abdul Shakoor: Materials Simulation Research Laboratory (MSRL), Institute of Physics, BahauddinZakariya University, Multan 60800, Pakistan
Niaz Ahmad Niaz: Materials Simulation Research Laboratory (MSRL), Institute of Physics, BahauddinZakariya University, Multan 60800, Pakistan
Fayyaz Hussain: Materials Simulation Research Laboratory (MSRL), Institute of Physics, BahauddinZakariya University, Multan 60800, Pakistan
Rana Muhammad Arif Khalil: Materials Simulation Research Laboratory (MSRL), Institute of Physics, BahauddinZakariya University, Multan 60800, Pakistan
Mohammad Alkhedher: Mechanical and Industrial Engineering Department, Abu Dhabi University, Abu Dhabi 111188, United Arab Emirates
Sayed M. Eldin: Center of Research, Faculty of Engineering & Technology, Future University in Egypt, New Cairo 11835, Egypt

Energies, 2022, vol. 15, issue 24, 1-15

Abstract: Quantized conduction achieved in layered materials offers a wide range of applications in electronics. A comprehensive analysis of electronic properties of Sr 2 ZrO 4 /TiN- and Sr 2 ZrO 4 /TaN-layered heterostructure is carried out using plane wave-based first principles calculations. To understand the origin of quantized conduction, the role of oxygen vacancies (V o s) in 2D layered Ruddleson–Popper perovskite (Sr 2 ZrO 4 ) is analyzed using density of states, isosurface, and integrated charge density plots. The origin of quantized states formed near the Fermi level is proposed in terms of charge conduction layer formed at the interface. The comprehensive insight of Sr 2 ZrO 4 /TiN and Sr 2 ZrO4/TaN heterostructure interface is provided by shedding light on the charge redistribution from charge density and Bader charge analysis. Meanwhile, work function is calculated for the confirmation of charge conducting behavior of the two layered heterostructures. The interface of these two layered heterostructures revealed the quantized conduction phenomena which cannot be achieved with either layer alone. Stable switching achieved withaTaN electrode being an important task for robust RS and solving sneak path related problem is opening roadmap for 2D layered RRAM devices.

Keywords: perovskite; DOS; heterostructure; layered material (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2022
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