A Combined First Principles and Kinetic Monte Carlo study of Polyoxometalate based Molecular Memory Devices

Lapham, P., Badami, O., Medina-Bailon, C., Adamu-Lema, F., Dutta, T. , Nagy, D. , Georgiev, V. and Asenov, A. (2020) A Combined First Principles and Kinetic Monte Carlo study of Polyoxometalate based Molecular Memory Devices. In: 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Kobe, Japan, 23 Sep - 06 Oct 2020, pp. 273-276. ISBN 9784863487635 (doi: 10.23919/SISPAD49475.2020.9241606)

Abstract

In this paper, we combine Density Functional Theory with Kinetic Monte Carlo methodology to study the fundamental transport properties of a type of polyoxometalate (POM) and its behaviour in a potential flash memory device. DFT simulations on POM molecular junctions helps us demonstrate the link between underlying electronic structure of the molecule and its transport properties. Furthermore, we show how various electrode-molecule contact configurations determine the electron transport through the POM. Also, our work reveals that the orientation of the molecule to the electrodes plays a key role in the transport properties of the junction. With Kinetic Monte Carlo we extend this investigation by simulating the retention time of a POM-based flash memory device. Our results show that a POM based flash memory could potentially show multi-bit storage and retain charge for up to 10 years.

• Item Type: Conference Proceedings
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Dutta, Dr Tapas and Lapham, Mr Paul and Nagy, Dr Daniel and Asenov, Professor Asen and Medina Bailon, Miss Cristina and Badami, Mr Oves and Adamu-Lema, Dr Fikru and Georgiev, Professor Vihar
• Authors: Lapham, P., Badami, O., Medina-Bailon, C., Adamu-Lema, F., Dutta, T., Nagy, D., Georgiev, V., and Asenov, A.
• College/School: College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
• ISSN: 1946-1577
• ISBN: 9784863487635
• Copyright Holders: Copyright © 2020 The Japan Society of Applied Physics
• Publisher Policy: Reproduced in accordance with the copyright policy of the publisher