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Quantum dynamics of electrons in emerging van der Waals devices

Lead Research Organisation: Loughborough University
Department Name: Physics

Abstract

The rich and diverse properties of the several hundred different types of atomically thin, two dimensional (2D) materials offer exciting new research directions for both fundamental science and for technological applications. The character of these 2D crystals are often preserved and even enhanced when different layers are stacked together. These 2D crystal stacks are a new class of "designer" materials known as van der Waals (vdW) heterostructures which offer a way to tune and exploit the novel and exotic quantum properties of electrons in 2D materials. By choosing the appropriate combination of layer materials, electron transport characteristics can be built-in and tailored for specific device applications. Moreover, their electronic properties can be fine-tuned by modifying the relative twist angle between the layers of the devices. This provides a huge configuration space of material choice and relative twist angle for the development of new science and applications: recently demonstrated phenomena include transistors, light emitting diodes, sensitive photodetectors, spin valves, superconductivity, magnetic proximity effects, dielectric screening effects and lasing.

The goal of this project is to understand the fundamental physics of electron quantum dynamics in vdW heterostructures and use this insight to investigate new ways to control electron dynamics for future device applications. Our work will focus on the development of new theoretical models of the electronic properties of vdW heterostructures to investigate: the limits to in-plane transport and carrier mobility due to lattice vibrations in vdW heterostructures; the effect of strong magnetic fields and layer patterning on the electron dynamics; interlayer tunnelling through quantum-confined sub-bands in vdW semiconductors. The successful development of these theories will be highly relevant to both academic and industrial researchers. They will be used to design new high-frequency transistors and oscillators with application in multi-valued logic devices, communication, security, medicine, and imaging.

We will work closely with theoretical and experimental colleagues at the Universities of Manchester and Nottingham, with theorists at Osaka University, Japan, and develop new links with industry. Together, these collaborations will allow direct feedback of measurements into and from our programme of theoretical work and thus enable mutual fast development of both the theroetical and experimental work.

Publications

10 25 50
 
Description In this grant, we investigated the electronic properties and transport phenomena in two-dimensional (2D) van der Waals (vdW) heterostructures. The aim of the project was to identify and theoretically analyse new quantum transport phenomena in various heterostructures. Working closely with experimental and theoretical collaborators, we developed theoretical models that explained several phenomena and provided insight into the underlying physical properties of these structures.

In our investigation of quantum transport in monolayer graphene and graphene-based superlattices, we developed theoretical models describing transport under high electric fields. We found highly non-linear current-voltage characteristics, which showed good agreement with experimental data. This behaviour was linked to the formation of a hot electron-hole plasma analogous to the Schwinger effect, arising from specific details of the band structure. Additionally, we studied the Planckian plasma of electrons and holes in monolayer graphene near the Dirac point. We studied a new regime of electron transport and demonstrated the significance of strong electron-hole interactions within this plasma, resulting in an effective Coulomb drag of minority carriers by majority carriers in the opposite direction to the applied force. Furthermore, we investigated the impact of a quantising magnetic field on transport under high electric fields across different temperature regimes. A series of phenomena were explained using both semiclassical and quantum mechanical models. This work provides insights into the breakdown of the quantum Hall effect in graphene, an important phenomenon for metrology.

We advanced the understanding of electron tunneling between two graphene layers through defect states in a hexagonal boron nitride barrier. Our theoretical analysis demonstrated that, under a strong magnetic field, electron-electron interactions can induce a Coulomb gap in the spectral density of tunneling electrons. We showed that the defect state effectively acts as a single-electron injector into the graphene layer, enabling the detailed study of the Coulomb gap. This finding may provide a new technique for exploring many-body quantum phenomena in other vdW devices.

Additionally, we investigated the properties of different 2D semiconductors using ab-initio calculations, exploring how they could be integrated into heterostructures to create novel devices. For example, we studied heterostructures comprising GaSe and graphene, determining the effects of interlayer coupling. We demonstrated how defect states could effectively dope the GaSe layer, suggesting how to tune these heterostructures for nanoelectronic applications. Furthermore, our work revealed how the inverted valence band of ferroelectric In2Se3 depends sensitively on its structural phase.

The grant also enabled the development of collaborations with experts in computational electromagnetics. The highly non-linear current-voltage effects observed in the transport properties of these 2D systems have potential applications in high-frequency electronics. Through this collaboration, initial calculations have been performed of the emission of electromagnetic radiation from and coupling with vdW heterostructures, incorporating non-linear transport processes. These calculations revealed that 2D materials with these non-linearities in the transport properties could act as sources of GHz electromagnetic radiation.
Exploitation Route The unusual properties of graphene observed at high electric fields and phenomena of Coulomb drag between electrons and holes at the Dirac point, can significantly affect the mobility of graphene. Incorporating these effects into theoretical models is essential to fully capture graphene's behaviour, informing both the fundamental physics and graphene's use in nanoelectronics. Currently, there is considerable interest in the properties of defects within 2D materials and their potential applications in quantum technologies. Our studies on defects in GaSe and electrons tunnelling through zero-dimensional states could offer important new insights into how these systems can be electronically tuned and utilised in quantum technologies, but also how they can reveal the properties of the layers of the devices. The developments in the electromagnetic calculations provide a route to potential new 2D sources of GHz-THz electromagnetic radiation opening new possibilities for future technological applications.
Sectors Electronics

 
Title Source data for: "A magnetically-induced Coulomb gap in graphene due to electron-electron interactions" Communications Physics volume 6, Article number: 159 (2023) 
Description This repository contains the source data for the article "A magnetically-induced Coulomb gap in graphene due to electron-electron interactions". This article can be found at Communications Physics volume 6, Article number: 159 (2023), 10.1038/s42005-023-01277-y 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://repository.lboro.ac.uk/articles/dataset/Source_data_for_A_magnetically-induced_Coulomb_gap_i...
 
Title Source data for: "A magnetically-induced Coulomb gap in graphene due to electron-electron interactions" Communications Physics volume 6, Article number: 159 (2023) 
Description This repository contains the source data for the article "A magnetically-induced Coulomb gap in graphene due to electron-electron interactions". This article can be found at Communications Physics volume 6, Article number: 159 (2023), 10.1038/s42005-023-01277-y 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://repository.lboro.ac.uk/articles/dataset/Source_data_for_A_magnetically-induced_Coulomb_gap_i...
 
Title Supplementary information files for Graphene's non-equilibrium fermions reveal Doppler-shifted magnetophonon resonances accompanied by Mach supersonic and Landau velocity effects 
Description Supplementary files for article Graphene's non-equilibrium fermions reveal Doppler-shifted magnetophonon resonances accompanied by Mach supersonic and Landau velocity effects. Oscillatory magnetoresistance measurements on graphene have revealed a wealth of novel physics. These phenomena are typically studied at low currents. At high currents, electrons are driven far from equilibrium with the atomic lattice vibrations so that their kinetic energy can exceed the thermal energy of the phonons. Here, we report three non-equilibrium phenomena in monolayer graphene at high currents: (i) a "Doppler-like" shift and splitting of the frequencies of the transverse acoustic (TA) phonons emitted when the electrons undergo inter-Landau level (LL) transitions; (ii) an intra-LL Mach effect with the emission of TA phonons when the electrons approach supersonic speed, and (iii) the onset of elastic inter-LL transitions at a critical carrier drift velocity, analogous to the superfluid Landau velocity. All three quantum phenomena can be unified in a single resonance equation. They offer avenues for research on out-of-equilibrium phenomena in other two-dimensional fermion systems. 
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Graphene_s_non-e...
 
Title Supplementary information files for Graphene's non-equilibrium fermions reveal Doppler-shifted magnetophonon resonances accompanied by Mach supersonic and Landau velocity effects 
Description Supplementary files for article Graphene's non-equilibrium fermions reveal Doppler-shifted magnetophonon resonances accompanied by Mach supersonic and Landau velocity effects. Oscillatory magnetoresistance measurements on graphene have revealed a wealth of novel physics. These phenomena are typically studied at low currents. At high currents, electrons are driven far from equilibrium with the atomic lattice vibrations so that their kinetic energy can exceed the thermal energy of the phonons. Here, we report three non-equilibrium phenomena in monolayer graphene at high currents: (i) a "Doppler-like" shift and splitting of the frequencies of the transverse acoustic (TA) phonons emitted when the electrons undergo inter-Landau level (LL) transitions; (ii) an intra-LL Mach effect with the emission of TA phonons when the electrons approach supersonic speed, and (iii) the onset of elastic inter-LL transitions at a critical carrier drift velocity, analogous to the superfluid Landau velocity. All three quantum phenomena can be unified in a single resonance equation. They offer avenues for research on out-of-equilibrium phenomena in other two-dimensional fermion systems. 
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Graphene_s_non-e...
 
Description Collaboration on modelling the electromagnetic emission from 2D devices 
Organisation University of Ghent
Country Belgium 
Sector Academic/University 
PI Contribution Models of electron transport in nano-patterned graphene.
Collaborator Contribution Coupling the electron transport models to full simulations of the electromagnetic properties and electromagnetic emission from the system.
Impact Papers on the methodology submitted to IEEE conference in 2023.
Start Year 2022
 
Description Collaboration on the electronic properties of 2D materials with the University of Nottingham 
Organisation University of Nottingham
Department School of Physics and Astronomy
Country United Kingdom 
Sector Academic/University 
PI Contribution We are undertaking ab-initio calculations of the properties of 2D In2Se3.
Collaborator Contribution ARPES measurements on In2Se3
Impact Research articles on the electronic properties of 2D materials.
Start Year 2021
 
Description Quantum transport properties of graphene with the University of Manchester 
Organisation University of Manchester
Department School of Physics and Astronomy Manchester
Country United Kingdom 
Sector Academic/University 
PI Contribution Quantum transport calculations of non-equilibrium electron dynamics in graphene
Collaborator Contribution Fabrication and measurement of the properties of large-size high quality graphene layers.
Impact Articles in Science and Nature Communications on the electronic properties of graphene.
Start Year 2021
 
Description Conference talk 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact This was a research talk to the quantum materials community who gathered at a conference in Bath in June 2022. The talk generated interest in the topic of non eqilibirum effects in graphene.
Year(s) Of Engagement Activity 2022
URL http://cmqm2022.iopconfs.org/home
 
Description Research talk at Osaka University 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Postgraduate students
Results and Impact This was a talk to the department of electronic engineering at Osaka university on van der Waals heterostructures.
Year(s) Of Engagement Activity 2023
 
Description Research talk at the University of Warwick 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Professional Practitioners
Results and Impact This was a talk on my research on defect assisted tunnelling in graphene-based van der Waals heterostructures. The talk was to members of the EPSRC CDT in Modelling of Heterogeneous Systems
Year(s) Of Engagement Activity 2022
 
Description Workshop on sustainable materials 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact This was an Institute of Physics workshop on the development of materials for sustainable applications. I gave a talk on my work on van der Waals heterostructures with some potential applications for low power electronics.
Year(s) Of Engagement Activity 2023