Academic staff

HomeAcademic staffDr John Buckeridge
Dr John Buckeridge

Dr John Buckeridge

buckerij@lsbu.ac.uk

Electrical and Electronic Engineering

https://orcid.org/0000-0002-2537-5082

  • 1342
    total views of outputs
  • 2257
    total downloads of outputs
  • 128
    views of outputs this month
  • 166
    downloads of outputs this month

I am a Lecturer at the School of Engineering in LSBU. I am computational materials physicist interested in modelling the properties of semiconductors and other functional materials. I am fascinated by the interaction of charge carriers with defects in crystalline systems, and aim to understand this interaction at a fundamental level. My work focuses on materials used in energy applications and high power microelectronics.

I am from Cork, Ireland, which is where I studied physics (at University College Cork). After obtaining my PhD, in 2011 I moved to the Chemistry Department in UCL. I moved to LSBU in 2019.

My research focuses on developing and applying computational techniques to understand how defects influence the electronic, optical, dynamic and transport properties of semiconductors. My key interest is to understand these effects at a detailed, fundamental level. Doing so provides insights in materials science which help guide the design of devices for solid-state lighting, microelectronics, sensing and energy applications such as photovoltaics, fuel cells and thermoelectrics.

I have published over 45 papers in peer-reviewed journals. My research has appeared in relevant media: in 2015 my work on understanding the properties of the wide gap semiconductor GaN was highlighted in the general audience magazines Materials Today, Chemistry World and Scientific American.

Through the course of my research, I apply software tools on national supercomputers, which I access through membership of the Materials Chemistry Consortium. I have bid successfully for substantial amounts of computer time over the last several years, that has been crucial for my research. I also have developed analysis tools that are in broad use within the research community.

I am a co-investigator on an EPSRC funded grant which is a Collaborative Computational Project on Quantum Computing (CCP-QC) in the UK. The project aims to bring together researchers working on quantum computing software and materials modelling, with industry partners focused on quantum computer hardware and software. We are also coordinating with the newly created, UKRI funded National Quantum Computing Centre. Placing the UK at the forefront of quantum computing globally is a key strategic goal of the UK government. I have recently taken on the role of co-chair of the management committee of CCP-QC.

I have obtained grants to disseminate my research in India and to collaborate with researchers in Spain. In 2018, the ePCC (the governing body that administers the national supercomputers in the UK) awarded me the position of 'Early Career Panel Observer', allowing me to sit in on a panel meeting where large scale bids for access to the computers were adjudicated on.

My research interests overlap with many of those at LSBU, and I have formed fruitful collaborations in the School of Engineering.

Courses taught

Electrical and Electronic Engineering - BEng (Hons)

Mechanical Engineering - BEng (Hons)

Electronic and Computer Systems Engineering - BEng (Hons)

Advanced Vehicle Engineering - BEng

Postgraduate Research Supervision
Current
Mr Iraj ParizInvestigating femtosecond laser ablation of titanium using Molecular Dynamics simulationPhD
Mr Rajapaksha Mudiyanselage Himal Widooshak MuwanwellaDoctoral Research ProjectPhD
Qing HouPhD by Published Work
Lei ZhuPhD by Published Work

Awarded in the last 5 years
Felicity H. TaylorPhD by Published Work
PhD (Physics)

University College Cork,

Ireland

2006
2010
BSc Physics

University College Cork,

Ireland

1999
2004
Senior Research Fellow
Univeristy College London

Research, management, teaching.

2018
2019
Education
Research Fellow
University College London

Research, management, teaching.

2011
2018
Education
FunderYear wonProjectRole
Engineering and Physical Sciences Research Council (EPSRC)2021Quantum Enhanced and Verified Exascale Computing – QEVECPrincipal Investigator
Engineering and Physical Sciences Research Council (EPSRC)2019CCP-QC: Collaborative Computational Project - Quantum ComputingPrincipal Investigator
American Physical Society
2009
2020
Royal Society of Chemistry
2015
2020
Materials Research Society
2011
2020
Materials

MDPI journal

Guest editor
2019
2020

Filter publications

The Interplay of Interstitial and Substitutional Copper in Zinc Oxide
Hou, Q, Buckeridge, J., Walsh, A, Xie, Z., Lu, Y., Keal, T. W., Guan, J., Woodley, S. M., Catlow, C. R. A. and Sokol, A. A. (2021). The Interplay of Interstitial and Substitutional Copper in Zinc Oxide. Frontiers in Chemistry. 9, p. 780935. https://doi.org/10.3389/fchem.2021.780935

BaBi2O6: A Promising n-Type Thermoelectric Oxide with the PbSb2O6 Crystal Structure
Spooner, K.B., Ganose, A.M., Leung, W. W. W., Buckeridge, J., Williamson, B., Palgrave, R. and Scanlon, D. (2021). BaBi2O6: A Promising n-Type Thermoelectric Oxide with the PbSb2O6 Crystal Structure. Chemistry of Materials. https://doi.org/10.1021/acs.chemmater.1c02164

Identifying Raman modes of Sb2Se3 and their symmetries using angle-resolved polarised Raman spectra
Fleck, N., Hobson, T. D. C., Savory, C. N., Buckeridge, J., Veal, T. D., Correia, M. R., Scanlon, D., Durose, K. and Jäckel, F. (2020). Identifying Raman modes of Sb2Se3 and their symmetries using angle-resolved polarised Raman spectra. Journal of Materials Chemistry A. 8, pp. 8337-8344. https://doi.org/10.1039/D0TA01783C

Enhanced Photocatalytic and Antibacterial Ability of Cu-Doped Anatase TiO2 Thin Films: Theory and Experiment
Alotaibi, A.M., Williamson, B.A.D., Sathasivam, S., Kafizas, A., Alqahtani, M., Sotelo-Vazquez, C., Buckeridge, J., Wu, J., Nair, S.P., Scanlon, D.O. and Parkin, I.P. (2020). Enhanced Photocatalytic and Antibacterial Ability of Cu-Doped Anatase TiO2 Thin Films: Theory and Experiment. ACS applied materials & interfaces. 12 (13), pp. 15348-15361. https://doi.org/10.1021/acsami.9b22056

Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb
Buckeridge, J., Veal, T.D., Catlow, C.R.A. and Scanlon, D.O. (2019). Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb. Physical Review B. 100, p. 035207. https://doi.org/10.1103/PhysRevB.100.035207

Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy
Buckeridge, J. (2019). Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy. Computer Physics Communications. 244, pp. 329-342. https://doi.org/10.1016/j.cpc.2019.06.017

Donor and acceptor characteristics of native point defects in GaN
Xie, Z., Sui, Y., Buckeridge, J., Catlow, C.R.A., Keal, T.W., Sherwood, P., Walsh, A., Farrow, M.R., Scanlon, D.O., Woodley, S.M. and Sokol, A.A. (2019). Donor and acceptor characteristics of native point defects in GaN. Journal of Physics D: Applied Physics. 52, p. 335104. https://doi.org/10.1088/1361-6463/ab2033

Electronic band structure and optical properties of boron arsenide
Buckeridge, J. and Scanlon, D.O. (2019). Electronic band structure and optical properties of boron arsenide. Physical Review Materials. 3, p. 051601(R). https://doi.org/10.1103/PhysRevMaterials.3.051601

Dispelling the Myth of Passivated Codoping in TiO2
Williamson, B.A.D., Buckeridge, J., Chadwick, N.P., Sathasivam, S., Carmalt, C.J., Parkin, I.P. and Scanlon, D.O. (2019). Dispelling the Myth of Passivated Codoping in TiO2. Chemistry of Materials. 31, pp. 2577-2589. https://doi.org/10.1021/acs.chemmater.9b00257

Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies
Hou, Q., Buckeridge, J., Lazauskas, T., Mora-Fonz, D., Sokol, A.A., Woodley, S.M. and Catlow, C.R.A. (2018). Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies. The Journal of Materials Chemistry C. 6, pp. 12386-12395. https://doi.org/10.1039/C8TC04760J

Oxidation states and ionicity
Walsh, A., Sokol, A.A., Buckeridge, J., Scanlon, D.O. and Catlow, C.R.A. (2018). Oxidation states and ionicity. Nature Materials. 17, p. 958–964. https://doi.org/10.1038/s41563-018-0165-7

Prediction of multiband luminescence due to the gallium vacancy–oxygen defect complex in GaN
Xie, Z., Sui, Y., Buckeridge, J., Sokol, A.A., Keal, T.W. and Walsh, A. (2018). Prediction of multiband luminescence due to the gallium vacancy–oxygen defect complex in GaN. Applied Physics Letters. 112, p. 262104. https://doi.org/10.1063/1.5026751

Deep vs shallow nature of oxygen vacancies and consequent n-type carrier concentrations in transparent conducting oxides
Buckeridge, J., Catlow, C.R.A., Farrow, M.R., Logsdail, A.J., Scanlon, D.O., Keal, T.W., Sherwood, P., Woodley, S.M. and Sokol, A.A. (2018). Deep vs shallow nature of oxygen vacancies and consequent n-type carrier concentrations in transparent conducting oxides. Physical Review Materials. 2, p. 054604. https://doi.org/10.1103/PhysRevMaterials.2.054604

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI
Ganose, A.M., Matsumoto, S., Buckeridge, J. and Scanlon, D.O. (2018). Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI. Chemistry of Materials. 30, pp. 3827-3835. https://doi.org/10.1021/acs.chemmater.8b01135

Thermodynamically accessible titanium clusters Ti_N, N = 2–32
Lazauskas, T., Sokol, A.A., Buckeridge, J., Catlow, C.R.A., Escher, S.G.E.T., Farrow, M.R., Mora-Fonz, D., Blum, V.W., Phaahla, T.M., Chauke, H.R., Ngoepee, P.E. and Woodley, S.M. (2018). Thermodynamically accessible titanium clusters Ti_N, N = 2–32 . Physical Chemistry Chemical Physics. 20, pp. 13962-13973. https://doi.org/10.1039/C8CP00406D

Screening Divalent Metals for A- and B-Site Dopants in LaFeO3
Taylor, F.H., Buckeridge, J. and Catlow, C.R.A. (2017). Screening Divalent Metals for A- and B-Site Dopants in LaFeO3. Chemistry of Materials. 29, pp. 8147-8157. https://doi.org/10.1021/acs.chemmater.7b01993

Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches
Catlow, C.R.A., Buckeridge, J., Farrow, M.R., Logsdail, A.J. and Sokol, A.A. (2017). Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches. in: Dronskowski, R., Kikkawa, S. and Stein, A. (ed.) Handbook of Solid State Chemistry Wiley-VCH. pp. 647-680

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity
Walsh, A., Sokol, A.A., Buckeridge, J., Scanlon, D.O. and Catlow, C.R.A. (2017). Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity. The Journal of Physical Chemistry Letters. 8, pp. 2074-2075. https://doi.org/10.1021/acs.jpclett.7b00809

Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors
Farrow, M.R., Buckeridge, J., Lazauskas, T., Mora-Fonz, D., Scanlon, D.O., Catlow, C.R.A., Woodley, S.M. and Sokol, A.A. (2017). Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors. Physica Status Solidi A. 214, p. 1600440. https://doi.org/10.1002/pssa.201600440

Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM
Xie, Z., Sui, Y., Buckeridge, J., Catlow, C.R.A., Keal, T.W., Sherwood, P., Walsh, A., Scanlon, D.O., Woodley, S.M. and Sokol, A.A. (2016). Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM. Physica Status Solidi A. 214, p. 1600445. https://doi.org/10.1002/pssa.201600445

Defects and Oxide Ion Migration in the Solid Oxide Fuel Cell Cathode Material LaFeO3
Taylor, F.H., Buckeridge, J. and Catlow, C.R.A. (2016). Defects and Oxide Ion Migration in the Solid Oxide Fuel Cell Cathode Material LaFeO3. Chemistry of Materials. 28, pp. 8210-8220. https://doi.org/10.1021/acs.chemmater.6b03048

Nonstoichiometry and Weyl fermionic behavior in TaAs
Buckeridge, J., Jevdokimovs, D., Catlow, C.R.A. and Sokol, A.A. (2016). Nonstoichiometry and Weyl fermionic behavior in TaAs. Physical Review B. 94, p. 180101(R). https://doi.org/10.1103/PhysRevB.94.180101

Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors
Williamson, B.A.D., Buckeridge, J., Brown, J., Ansbrot, S., Palgrave, R.G. and Scanlon, D.O. (2016). Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors. Chemistry of Materials. 29, pp. 2402-2413. https://doi.org/10.1021/acs.chemmater.6b03306

Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory
Linhart, W.M., Rajpalke, M.K., Buckeridge, J., Murgatroyd, P.A.E., Bomphrey, J.J., Alaria, J., Catlow, C.R.A., Scanlon, D.O., Ashwin, M.J. and Veal, T.D. (2016). Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory . Applied Physics Letters. 109, p. 132104. https://doi.org/10.1063/1.4963836

Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs3Bi2Br9
Bass, K.K., Estergreen, L., Savory, C.N., Buckeridge, J., Scanlon, D.O., Djurovich, P.I., Bradforth, S.E., Thompson, M.E. and Melot, B.C. (2016). Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs3Bi2Br9. Inorganic Chemistry. 56, pp. 42-45. https://doi.org/10.1021/acs.inorgchem.6b01571

Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions
Skelton, J. M., Burton, L. A., Parker, S. C., Walsh, A., Kim, C.-E., Soon, A., Buckeridge, J., Sokol, A. A., Catlow, C. R. A., Togo, A. and Tanaka, I. (2019). Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions. Physical Review Letters. 117, p. 075502. https://doi.org/10.1103/PhysRevLett.117.075502

Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3
Buckeridge, J., Taylor, F. H. and Catlow, C. R. A. (2016). Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3. Physical Review B. 93, p. 155123. https://doi.org/10.1103/PhysRevB.93.155123

One-Dimensional Nanosystems
Buckeridge, J. and Sokol, A. A. One-Dimensional Nanosystems. in: Bromley, S. T. and Zwijnenburg, M. A. (ed.) Computational Modeling of Inorganic Nanomaterials CRC Press - Taylor and Francis Group. pp. 47-82

Single Step Solution Processed GaAs Thin Films from GaMe3 and tBuAsH2 under Ambient Pressure
Sathasivam, S., Arnepalli, R. R., Bhachu, D. S., Lu, Y., Buckeridge, J., Scanlon, D. O., Kumar, B., Singh, K. K., Visser, R. J., Blackman, C. S. and Carmalt, C. J. Single Step Solution Processed GaAs Thin Films from GaMe3 and tBuAsH2 under Ambient Pressure. The Journal of Physical Chemistry C. 120, pp. 7013-7019. https://doi.org/10.1021/acs.jpcc.6b00850

Bulk electronic, elastic, structural, and dielectric properties of the Weyl semimetal TaAs
Buckeridge, J., Jevdokimovs, D., Catlow, C. R. A. and Sokol, A. A. Bulk electronic, elastic, structural, and dielectric properties of the Weyl semimetal TaAs. Physical Review B. 93, p. 125205. https://doi.org/10.1103/PhysRevB.93.125205

Band energy control of molybdenum oxide by surface hydration
Butler, K. T., Crespo-Otero, R., Buckeridge, J., Scanlon, D. O., Bovill, E., Lidzey, D. and Walsh, A. (2015). Band energy control of molybdenum oxide by surface hydration . Applied Physics Letters. 107, p. 231605. https://doi.org/10.1063/1.4937460

Buckeridge et al. Reply:
Buckeridge, J., Catlow, C. R. A., Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M. and Sokol, A. A. (2015). Buckeridge et al. Reply: Physical Review Letters. 115 (2), p. 029702. https://doi.org/10.1103/PhysRevLett.115.029702

Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination
Buckeridge, J., Butler, K. T., Catlow, C. R. A., Logsdail, A. J., Scanlon, D. O., Shevlin, S. A., Woodley, S. M., Sokol, A. A. and Walsh, A. (2015). Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination. Chemistry of Materials. 27, pp. 3844-3851. https://doi.org/10.1021/acs.chemmater.5b00230

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO
Mora-Fonz, D., Buckeridge, J., Logsdail, A. J., Scanlon, D. O., Sokol, A. A., Woodley, S. M. and Catlow, C. R. A. (2015). Morphological Features and Band Bending at Nonpolar Surfaces of ZnO. The Journal of Physical Chemistry C. 119, pp. 11598-11611. https://doi.org/10.1021/acs.jpcc.5b01331

Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals
Buckeridge, J., Catlow, C. R. A., Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M. and Sokol, A. A. (2015). Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals. Physical Review Letters. 114, p. 016405. https://doi.org/10.1103/PhysRevLett.114.016405

Double bubbles: a new structural motif for enhanced electron–hole separation in solids
Sokol, A. A., Farrow, M. R., Buckeridge, J., Logsdail, A. J., Catlow, C. R. A., Scanlon, D. O. and Woodley, S. M. (2014). Double bubbles: a new structural motif for enhanced electron–hole separation in solids. Physical Chemistry Chemical Physics. 16, pp. 21098-21105. https://doi.org/10.1039/C4CP01900H

From Stable ZnO and GaN Clusters to Novel Double Bubbles and Frameworks
Farrow, M. R., Buckeridge, J., Catlow, C. R. A., Logsdail, A. J., Scanlon, D. O., Sokol, A. A. and Woodley, S. M. (2014). From Stable ZnO and GaN Clusters to Novel Double Bubbles and Frameworks. Inorganics. 2, pp. 248-263. https://doi.org/10.3390/inorganics2020248

Crystal electron binding energy and surface work function control of tin dioxide
Butler, K. T., Buckeridge, J., Catlow, C. R. A. and Walsh, A. Crystal electron binding energy and surface work function control of tin dioxide. Physical Review B. 89, p. 115320. https://doi.org/10.1103/PhysRevB.89.115320

Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe
Scanlon, D. O., Buckeridge, J., Catlow, C. R. A. and Watson, G. W. (2014). Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe . Journal of Materials Chemistry C. 17, pp. 3429-3438. https://doi.org/10.1039/C4TC00096J

N incorporation and associated localized vibrational modes in GaSb
Buckeridge, J., Scanlon, D. O., Veal, T. D., Ashwin, M. J., Walsh, A. and Catlow, C. R. A. (2014). N incorporation and associated localized vibrational modes in GaSb. Physical Review B. 89, p. 014107. https://doi.org/10.1103/PhysRevB.89.014107

Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds
Buckeridge, J., Scanlon, D. O., Walsh, A. and Catlow, C. R. A. (2014). Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. Computer Physics Communications. 185, pp. 330-338. https://doi.org/10.1016/j.cpc.2013.08.026