Staff profile

Emma McCabe’s research group focuses on structure – composition – property relationships in functional materials. We design and synthesis new functional materials and investigate their structure and properties. We’re interested in oxides (including perovskite-related materials), oxysulfides and oxyselenides, and oxyfluorides. These materials have useful magnetic, electronic and optical properties. 

I joined Durham Physics as Assistant Professor in Condensed Matter Physics in January 2021. My interest in materials physics/solid state chemistry began during my undergraduate studies and postgraduate research at University of Birmingham with Professor Colin Greaves. I then carried out postdoctoral research with Professor Tony West (Sheffield) and Professor John S. O. Evans (Durham Chemistry). I was appointed as lecturer and then senior lecturer in chemistry at University of Kent, before moving back to Durham. I’m really grateful to Max Alexander for use of the photo above, taken as part of the Illuminating Atoms exhibition (http://www.maxalexander.com/galleries/illuminating-atoms-portraits/) for the International Year of Crystallography. 

Chapter in book

• McCabe, E. E. (2022). Designing new polar materials. In Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier. https://doi.org/10.1016/b978-0-12-823144-9.00080-7

Journal Article

• Bousquet, E., Fava, M., Romestan, Z., Gómez-Ortiz, F., McCabe, . E. E., & Romero, A. H. (in press). Structural chirality and related properties in the periodic inorganic solids: Review and perspectives. Journal of Physics: Condensed Matter,
• Hebberd, G. R., Mendis, B., Bowen, L., Clark, S. J., & Mccabe, E. E. (2024). La₂O₂MQ₂ phases: stability and synthetic challenges. Solid State Sciences, 157, Article 107719. https://doi.org/10.1016/j.solidstatesciences.2024.107719
• Al Bacha, S., Saitzek, S., Kabbour, H., & McCabe, E. E. (2024). Iron Oxychalcogenides and Their Photocurrent Responses. Inorganic Chemistry, 63(7), 3292 - 3302. https://doi.org/10.1021/acs.inorgchem.3c03672
• Al Bacha, S., Saitzek, S., Roussel, P., Huvé, M., McCabe, E. E., & Kabbour, H. (2023). Low Carrier Effective Masses in Photoactive Sr 2 Sb 2 O 2 Q 3 ( Q = S, Se): The Role of the Lone Pair. Chemistry of Materials, 35(22), 9528-9541. https://doi.org/10.1021/acs.chemmater.3c01298
• McCabe, E. E. (2023). Functional materials design: octahedral tilts in hybrid n = 1 Ruddlesden–Popper phases. IUCrJ, 10(4), 382-384. https://doi.org/10.1107/s2052252523005559
• Al Bacha, S., Saitzek, S., McCabe, E. E., & Kabbour, H. (2022). Photocatalytic and Photocurrent Responses to Visible Light of the Lone-Pair-Based Oxysulfide Sr6Cd2Sb6S10O7. Inorganic Chemistry, 61(46), 18611-18621. https://doi.org/10.1021/acs.inorgchem.2c03040
• Frank, C. E., McCabe, E. E., Orlandi, F., Manuel, P., Tan, X., Deng, Z., Jin, C., Croft, M., Emge, T., Yu, S., Wang, H., Gopalan, V., Lapidus, S., Wu, M., Li, M.-R., Gross, J., Burger, P., Mielewczyk-Gryń, A., Klimczuk, T., Xie, W., …Greenblatt, M. (2022). Fe3-xInSnxO6 (x = 0, 0.25, 0.5): A family of corundum derivatives with Sn-induced polarization and above room temperature antiferromagnetic ordering. Chemistry of Materials, 34(11), 5020-5029. https://doi.org/10.1021/acs.chemmater.2c00312
• Orr, M., Hebberd, G. R., McCabe, E. E., & Macaluso, R. T. (2022). Structural Diversity of Rare-Earth Oxychalcogenides. ACS Omega, 7(10), 8209-8218. https://doi.org/10.1021/acsomega.2c00186
• Tula, T., Möller, G., Quintanilla, J., Giblin, S., Hillier, A., McCabe, E., Ramos, S., Barker, D., & Gibson, S. (2022). Joint machine learning analysis of muon spectroscopy data from different materials. Journal of Physics: Conference Series, 2164, Article 012018. https://doi.org/10.1088/1742-6596/2164/1/012018
• Scott, E. A., Mitoudi Vagourdei, E., Johnsson, M., Cascos, V., John, F., Pickup, D., Chadwick, A. V., Djani, H., Bousquet, E., Zhang, W., Halasyamani, P. S., & McCabe, E. (2022). Bi2CoO2F4 – a polar, ferrimagnetic Aurivillius oxide-fluoride. Chemistry of Materials, 34(21), 9775-9785. https://doi.org/10.1021/acs.chemmater.2c02745
• Tustain, K., McCabe, E. E., Arevalo-Lopez, A. M., Gibbs, A. S., Thompson, S. P., Murray, C. A., Ritter, C., & Clark, L. (2021). Disorder-Induced Structural Complexity in the Barlowite Family of S = 1/2 Kagomé Magnets. Chemistry of Materials, 33(24), 9638-9651. https://doi.org/10.1021/acs.chemmater.1c03247
• Giddings, A. T., Scott, E. A., Stennett, M. C., Apperley, D. C., Greaves, C., Hyatt, N. C., & McCabe, E. E. (2021). Symmetry and the Role of the Anion Sublattice in Aurivillius Oxyfluoride Bi2TiO4F2. Inorganic Chemistry, 60(18), 14105-14115. https://doi.org/10.1021/acs.inorgchem.1c01933
• Feng, H., Kang, C.-J., Manuel, P., Orlandi, F., Su, Y., Chen, J., Tsujimoto, Y., Hadermann, J., Kotliar, G., Yamaura, K., McCabe, E., & Greenblatt, M. (2021). Antiferromagnetic order breaks inversion symmetry in metallic double perovskite, Pb2NiOsO6. Chemistry of Materials, 33(11), 4188-4195. https://doi.org/10.1021/acs.chemmater.1c01032
• Tula, T., Möller, G., Quintanilla, J., Giblin, S., Hillier, A., McCabe, E., Ramos, S., Barker, D., & Gibson, S. (2021). Machine learning approach to muon spectroscopy analysis. Journal of Physics: Condensed Matter, 33(19), Article 194002. https://doi.org/10.1088/1361-648x/abe39e
• Cascos, V. A., Roberts-Watts, J., Skingle, C., Levin, I., Zhang, W., Halasyamani, P. S., Stennett, M. C., Hyatt, N. C., Bousquet, E., & McCabe, E. E. (2020). Tuning between Proper and Hybrid-Improper Mechanisms for Polar Behavior in CsLn2Ti2NbO10 Dion-Jacobson Phases. Chemistry of Materials, 32(19), 8700-8712. https://doi.org/10.1021/acs.chemmater.0c03326
• : A potentially antiferroelectric Aurivillius phase. Physical Review B, 101(13), https://doi.org/10.1103/physrevb.101.134113
• Vera Stimpson, L. J., McNulty, J. A., Morrison, F. D., Mahajan, A., McCabe, E. E., Gibbs, A. S., Stenning, G. B., Jura, M., & Arnold, D. C. (2020). A comprehensive variable temperature study of the layered oxide, Ca2Mn3O8. Journal of Alloys and Compounds, 843, https://doi.org/10.1016/j.jallcom.2020.155633
• Ni3−xCoxTeO6(x=1,2). Physical Review B, 101(1), https://doi.org/10.1103/physrevb.101.014429
• Chen, K., Di Paola, C., Laricchia, S., Reece, M. J., Weber, C., McCabe, E., Abrahams, I., & Bonini, N. (2020). Structural and electronic evolution in the Cu3SbS4–Cu3SnS4 solid solution. Journal of Materials Chemistry C Materials for optical and electronic devices, 8(33), https://doi.org/10.1039/d0tc01804j
• Beqiri, D., Cascos, V., Roberts-Watts, J., Clark, E. R., Bousquet, E., Bristowe, N. C., & McCabe, E. E. (2019). Tuning octahedral tilts and the polar nature of A-site deficient perovskites Electronic supplementary information (ESI) available. Chemical Communications, 55(18), 2609-2612. https://doi.org/10.1039/c8cc10126d
• Tan, X., McCabe, E. E., Orlandi, F., Manuel, P., Batuk, M., Hadermann, J., Deng, Z., Jin, C., Nowik, I., Herber, R., Segre, C. U., Liu, S., Croft, M., Kang, C.-J., Lapidus, S., Frank, C. E., Padmanabhan, H., Gopalan, V., Wu, M., Li, M.-R., …Greenblatt, M. (2019). MnFe0.5Ru0.5O3: an above-room-temperature antiferromagnetic semiconductor. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(3), https://doi.org/10.1039/c8tc05059g
• Frank, C. E., McCabe, E. E., Orlandi, F., Manuel, P., Tan, X., Deng, Z., Croft, M., Cascos, V., Emge, T., Feng, H. L., Lapidus, S., Jin, C., Wu, M., Li, M. R., Ehrlich, S., Khalid, S., Quackenbush, N., Yu, S., Walker, D., & Greenblatt, M. (2019). Mn2CoReO6: a robust multisublattice antiferromagnetic perovskite with small A-site cations. Chemical Communications, 55(23), https://doi.org/10.1039/c9cc00038k
• Coles, B., Hillier, A., Coomer, F., Bristowe, N., Ramos, S., & McCabe, E. (2019). Spin interactions and magnetic order in the iron oxychalcogenides BaFe(2)Q(2)O (Q = S and Se). Physical Review B, 100(2), Article 024427. https://doi.org/10.1103/physrevb.100.024427
• Oogarah, R. K., Suard, E., & McCabe, E. E. (2018). Magnetic order and phase transition in the iron oxysulfide La 2 O 2 Fe 2 OS 2. Journal of Magnetism and Magnetic Materials, 446, https://doi.org/10.1016/j.jmmm.2017.09.024
• Oogarah, R., Stockdale, C., Stock, C., Evans, J., Wills, A., Taylor, J., & McCabe, E. (2017). Crystal field excitations and magnons: Their roles in oxyselenides Pr2O2M2OSe2 (M = Mn, Fe). Physical Review B, 95(17), Article 174441. https://doi.org/10.1103/physrevb.95.174441
• Li, M.-R., McCabe, E. E., Stephens, P. W., Croft, M., Collins, L., Kalinin, S. V., Deng, Z., Retuerto, M., Sen Gupta, A., Padmanabhan, H., Gopalan, V., Grams, C. P., Hemberger, J., Orlandi, F., Manuel, P., Li, W.-M., Jin, C.-Q., Walker, D., & Greenblatt, M. (2017). Magnetostriction-polarization coupling in multiferroic Mn2MnWO6. Nature Communications, 8(1), Article 2037. https://doi.org/10.1038/s41467-017-02003-3
• Ainsworth, C. M., Wang, C.-H., Johnston, H. E., McCabe, E. E., Tucker, M. G., Brand, H. E., & Evans, J. S. (2015). Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides. Inorganic Chemistry, 54(15), 7230-7238. https://doi.org/10.1021/acs.inorgchem.5b00599
• Wang, C.-H., Ainsworth, C. M., Gui, D.-Y., McCabe, E. E., Tucker, M. G., Evans, I. R., & Evans, J. S. (2015). Infinitely Adaptive Transition Metal Oxychalcogenides: The Modulated Structures of Ce2O2MnSe2 and (Ce0.78La0.22)2O2MnSe2. Chemistry of Materials, 27(8), 3121-3134. https://doi.org/10.1021/acs.chemmater.5b00666
• McCabe, E. E., Bousquet, E., Stockdale, C. P., Deacon, C. A., Tran, T. T., Halasyamani, P. S., Stennett, M. C., & Hyatt, N. C. (2015). Proper Ferroelectricity in the Dion–Jacobson Material CsBi2Ti2NbO10: Experiment and Theory. Chemistry of Materials, 27(24), https://doi.org/10.1021/acs.chemmater.5b03564
• McCabe, E., Stock, C., Bettis Jr., J., Whangbo, M., & Evans, J. (2014). Magnetism of the Fe2+ and Ce3+ sublattices in Ce2O2FeSe2: A combined neutron powder diffraction, inelastic neutron scattering, and density functional study. Physical review B, 90(23), Article 235115. https://doi.org/10.1103/physrevb.90.235115
• McCabe, E., Wills, A., Chapon, L., Manuel, P., & Evans, J. (2014). Structural and magnetic characterization of iron oxyselenides Ce2O2Fe2OSe2 and Nd2O2Fe2OSe2. Physical review B, 90(16), Article 165111. https://doi.org/10.1103/physrevb.90.165111
• McCabe, E., Stock, C., Rodriguez, E., Wills, A., Taylor, J., & Evans, J. (2014). Weak spin interactions in Mott insulating La2O2Fe2OSe2. Physical review B, 89(10), Article 100402(R). https://doi.org/10.1103/physrevb.89.100402
• Tuxworth, A. J., McCabe, E. E., Free, D. G., Clark, S. J., & Evans, J. S. (2013). Structural Characterization and Physical Properties of the New Transition Metal Oxyselenide La2O2ZnSe2. Inorganic Chemistry, 52(4), 2078-2085. https://doi.org/10.1021/ic302484x
• Giddings, A., Stennett, M., Reid, D., McCabe, E., Greaves, C., & Hyatt, N. (2011). Synthesis, structure and characterisation of the n=4 Aurivillius phase Bi5Ti3CrO15. Journal of Solid State Chemistry, 184(2), https://doi.org/10.1016/j.jssc.2010.09.031
• McCabe, E. E., Free, D. G., & Evans, J. S. (2011). A new iron oxyselenide Ce2O2FeSe2: synthesis and characterisation. Chemical Communications, 47(4), 1261-1263. https://doi.org/10.1039/c0cc03477k
• McCabe, E., Free, D., Mendis, B., Higgins, J., & Evans, J. (2010). Preparation, Characterization, and Structural Phase Transitions in a New Family of Semiconducting Transition Metal Oxychalcogenides beta-La(2)O(2)MSe(2) (M = Mn, Fe). Chemistry of Materials, 22(22), 6171-6182. https://doi.org/10.1021/cm1023103
• McCabe, E. E., & West, A. R. (2010). New high permittivity tetragonal tungsten bronze dielectrics Ba2LaMNb4O15: M=Mn, Fe. Journal of Solid State Chemistry, 183(3), https://doi.org/10.1016/j.jssc.2009.11.032
• Liu, Y., McCabe, E. E., Sinclair, D. C., & West, A. R. (2009). Synthesis, structure and properties of the hexagonal perovskite, h-BaTi1−xHoxO3−x/2. Journal of materials chemistry, 19(29), https://doi.org/10.1039/b822785c
• Wu, Y., Pasero, D., McCabe, E., Matsushima, Y., & West, A. (2009). Formation of disordered and partially ordered LixCo1−xO. Journal of materials chemistry, 19(10), https://doi.org/10.1039/b816486j
• ≤0.24−0.31. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 465(2106), https://doi.org/10.1098/rspa.2008.0489
• Rawal, R., McQueen, A. J., Gillie, L. J., Hyatt, N. C., McCabe, E. E., Samara, K., Alford, N. M., Feteira, A., Reaney, I. M., & Sinclair, D. C. (2009). Influence of octahedral tilting on the microwave dielectric properties of A3LaNb3O12 hexagonal perovskites (A=Ba, Sr). Applied Physics Letters, 94(19), https://doi.org/10.1063/1.3129867
• McCabe, E., & Greaves, C. (2008). Structural and magnetic characterisation of Aurivillius material Bi2Sr2Nb2.5Fe0.5O12. Journal of Solid State Chemistry, 181(11), https://doi.org/10.1016/j.jssc.2008.08.004
• McCabe, E., Jones, I., Zhang, D., Hyatt, N., & Greaves, C. (2007). Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride. Journal of materials chemistry, 17(12), https://doi.org/10.1039/b613970a
• McCabe, E. E., & Greaves, C. (2007). Fluorine insertion reactions into pre-formed metal oxides. Journal of Fluorine Chemistry, 128(4), https://doi.org/10.1016/j.jfluchem.2006.11.008
• McCabe, E., & Greaves, C. (2006). Synthesis and Structural and Magnetic Characterization of Mixed Manganese−Coppern= 1 Ruddlesden−Popper Phases. Chemistry of Materials, 18(24), https://doi.org/10.1021/cm061661j
• McCabe, E., & Greaves, C. (2005). Structural and magnetic characterisation of Bi2Sr1.4La0.6Nb2MnO12and its relationship to “Bi2Sr2Nb2MnO12”. Journal of materials chemistry, 15(1), https://doi.org/10.1039/b413732a
• Cheung, E. Y., McCabe, E. E., Harris, K. D., Johnston, R. L., Tedesco, E., Raja, K. M. P., & Balaram, P. (2002). C−H⋅⋅⋅O Hydrogen Bond Mediated Chain Reversal in a Peptide Containing aγ-Amino Acid Residue, Determined Directly from Powder X-ray Diffraction Data. Angewandte Chemie, 114(3), https://doi.org/10.1002/1521-3757%2820020201%29114%3A3%3C512%3A%3Aaid-ange512%3E3.0.co%3B2-5