Publications

Full list of the group's publications.

Eliza K. Dempsey and James Cumby, Mixed anion control of negative thermal expansion in a niobium oxyfluoride, Chemical Communications, 2024, Advance Article

Graphic showing how changing the amount of fluorine results in larger structural vibrations

R.-Z..Zhang, S. Seth and J. Cumby, Grouped representation of interatomic distances as a similarity measure for crystal structures, Digital Discovery, 2, 2023, 81-90.

Schematic of ordered pairwise distances being combined with composition and earth mover's distance to quantify similarity between materials.

E. K. Dempsey and J. Cumby, Metallic to half-metallic transition driven by pressure and anion composition in niobium oxyfluoride, Journal of Materials Chemistry C, 11, 2023, 1791-1797.

Image showing how both pressure and fluoride doping cause half-metallic behaviour in niobium oxyfluorides

E. Pachoud, J. Cumby, J.Wright, B. Raguž, R. Glaum and J. P. Attfield, Electronic origin of negative thermal expansion in V2OPO4, Chemical Communications, 56, 2020, 6523.

Section of lattice parameter variation graph showing negative thermal expansion.

E. Pachoud, J. Cumby, G. Perversi, J. P. Wright and J. P. Attfield, Site-selective doping of ordered charge states in magnetite, Nature Communications, 11, 2020, 1671.

Distribution of anomalous site within the crystal lattice

K. Rossi and J. Cumby, Representations and descriptors unifying the study of molecular and bulk systems, International Journal of Quantum Chemistry, 120, 2020, e26151.

Selection of current atomic structure descriptors

G. Perversi, E. Pachoud, J. Cumby, J.M. Hudspeth, J.P. Wright, S.A.J. Kimber and J.P. Attfield, Co-emergence of magnetic order and structural fluctuations in magnetite, Nature Communications, 10, 2019, 2857.

Trimeron local ordering

K.H. Hong, J. Cumby, A. Arevalo-Lopez, C. Ritter and J.P. Attfield, Long range electronic phase separation in CaFe3O5, Nature Communications, 9, 2018, 2975.

CaFe3O5 crystal structure

J. Cumby, M.B. Burchell and J.P. Attfield, High Pressure synthesis, crystal growth and magnetic properties of TiOF, Solid State Sciences, 80, 2018, 35-38.

TiOF single crystal diffraction

E. Pachoud, J. Cumby, C. Lithgow and J.P. Attfield, Charge order and negative thermal expansion in V2OPO­4, Journal of the American Chemical Society, 140(2), 2018, 636-641.

Graph showing thermal expansion

J. Cumby and J.P. Attfield, Ellipsoidal Analysis of Coordination Polyhedra, Nature Communications, 8, 2017, 14235.

Ellipsoidal Polyhedron description

J. Cumby, R.D. Bayliss, F.J. Berry and C. Greaves, Synthetic analogues of Fe(II)-Fe(III) minerals containing a pentagonal ‘Cairo’ magnetic lattice. Dalton Transactions, 45, 2016, 11801.

A lattice structure of an iron-containing mineral

R.D. Bayliss, F.J. Berry, J.C. Cumby, C. Greaves, J.C. Jumas and J.F. Marco, Synthetic versiliaite and apuanite: investigation by 57Fe Mössbauer spectroscopy, Hyperfine Interactions, 237, 2016, 1.

A set of graphs from the Hyperfine Interactions paper

G. Perversi, J. Cumby, E. Pachoud, J.P. Wright and J.P. Attfield, The Verwey Structure of a natural magnetite, Chemical Communications, 52, 2016, 4864.

Table of contents image for the Chemical Communications paper

J. Cumby, B.P. de Laune and C. Greaves, The structures and magnetic properties of FexCo1-xSb2O4 and MnxCo1-xSb2O4, 0<= x<= 1, Journal of Materials Chemistry C, 4, 2016, 201.

Chemical and magnetic structure of several materials

M.S. Senn, J.P. Wright, J. Cumby and J.P. Attfield, Charge Localization in the Verwey structure of magnetite, Physical Review B, 92, 2015, 024104.

Figure from the Physical Review B paper

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