Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide F Brivio, JM Frost, JM Skelton, AJ Jackson, OJ Weber, MT Weller, AR Goni, ...
Physical Review B 92 (14), 144308, 2015
581 2015 sumo: Command-line tools for plotting and analysis of periodic* ab initio* calculations AM Ganose, AJ Jackson, DO Scanlon
Journal of Open Source Software 3 (28), 717, 2018
334 2018 Lattice dynamics of the tin sulphides SnS 2, SnS and Sn 2 S 3: vibrational spectra and thermal transport JM Skelton, LA Burton, AJ Jackson, F Oba, SC Parker, A Walsh
Physical Chemistry Chemical Physics 19 (19), 12452-12465, 2017
238 2017 Computational screening of all stoichiometric inorganic materials DW Davies, KT Butler, AJ Jackson, A Morris, JM Frost, JM Skelton, ...
Chem 1 (4), 617-627, 2016
159 2016 Vibrational spectra and lattice thermal conductivity of kesterite-structured Cu2ZnSnS4 and Cu2ZnSnSe4 JM Skelton, AJ Jackson, M Dimitrievska, SK Wallace, A Walsh
Apl Materials 3 (4), 2015
88 2015 Dielectric response of Fe2O3 crystals and thin films RA Lunt, AJ Jackson, A Walsh
Chemical physics letters 586, 67-69, 2013
72 2013 Limits to doping of wide band gap semiconductors A Walsh, J Buckeridge, CRA Catlow, AJ Jackson, TW Keal, M Miskufova, ...
Chemistry of Materials 25 (15), 2924-2926, 2013
66 2013 A universal chemical potential for sulfur vapours AJ Jackson, D Tiana, A Walsh
Chemical science 7 (2), 1082-1092, 2016
63 2016 Ab initio thermodynamic model of Cu 2 ZnSnS 4 AJ Jackson, A Walsh
Journal of Materials Chemistry A 2 (21), 7829-7836, 2014
59 2014 Galore: Broadening and weighting for simulation of photoelectron spectroscopy A J Jackson, A M Ganose, A Regoutz, R G Egdell, O D Scanlon
Journal of Open Source Software 3 (26), 2018
45 2018 Resonant Raman scattering of ZnS x Se 1− x solid solutions: the role of S and Se electronic states M Dimitrievska, H Xie, AJ Jackson, X Fontané, M Espíndola-Rodríguez, ...
Physical Chemistry Chemical Physics 18 (11), 7632-7640, 2016
42 2016 Smact: Semiconducting materials by analogy and chemical theory DW Davies, KT Butler, AJ Jackson, JM Skelton, K Morita, A Walsh
Journal of Open Source Software 4 (38), 1361, 2019
35 2019 Oxidation of GaN: An ab initio thermodynamic approach AJ Jackson, A Walsh
Physical Review B 88 (16), 165201, 2013
33 2013 Crystal structure optimisation using an auxiliary equation of state AJ Jackson, JM Skelton, CH Hendon, KT Butler, A Walsh
The Journal of Chemical Physics 143 (18), 2015
22 2015 Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors T Shibuya, JM Skelton, AJ Jackson, K Yasuoka, A Togo, I Tanaka, ...
APL Materials 4 (10), 2016
18 2016 Automated bonding analysis with crystal orbital hamilton populations J George, G Petretto, A Naik, M Esters, AJ Jackson, R Nelson, ...
ChemPlusChem 87 (11), e202200123, 2022
16 2022 Band edge evolution of transparent MJ Wahila, ZW Lebens-Higgins, AJ Jackson, DO Scanlon, TL Lee, ...
Physical Review B 100 (8), 085126, 2019
14 2019 Computational Prediction and Experimental Realization of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb2 O6 AJ Jackson, BJ Parrett, J Willis, AM Ganose, WWW Leung, Y Liu, ...
ACS Energy Letters 7 (11), 3807-3816, 2022
10 2022 Euphonic: inelastic neutron scattering simulations from force constants and visualization tools for phonon properties R Fair, A Jackson, D Voneshen, D Jochym, D Le, K Refson, T Perring
Journal of Applied Crystallography 55 (6), 1689-1703, 2022
9 2022 APL Mater. 3, 041102 (2015) JM Skelton, AJ Jackson, M Dimitrievska, SK Wallace, A Walsh
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Aron WalshDepartment of Materials, Imperial College LondonVahvistettu sähköpostiosoite verkkotunnuksessa imperial.ac.uk
