Struan Simpson
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View article: Evidence of a Bulk Interlayer Excitonic Insulator Phase in the Oxypnictide CeMnAsO1-xFx
Evidence of a Bulk Interlayer Excitonic Insulator Phase in the Oxypnictide CeMnAsO1-xFx Open
Excitonic insulators are a remarkable class of insulators that can exhibit a condensate of electron-hole pairs below a critical temperature TC and are predicted to give rise to exotic quantum phenomena. Thus far, the excitonic i…
View article: Octahedral Tilting in Perovskite Polytypes
Octahedral Tilting in Perovskite Polytypes Open
View article: Goldstone-mediated polar instability in hexagonal barium titanate
Goldstone-mediated polar instability in hexagonal barium titanate Open
We discover a rare structural manifestation of the Goldstone paradigm in a hexagonal polytype of the archetypal ferroelectric BaTiO3. First-principles calculations confirm the Goldstone character of the order parameter, and high-resolution…
View article: Intrinsic electronic phase separation and competition between <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>G</mml:mi></mml:math>-type, <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>C</mml:mi></mml:math>-type, and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>C</mml:mi><mml:mi>E</mml:mi></mml:mrow></mml:math>-type charge and orbital ordering modes in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Hg</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Na</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>Mn</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>Mn</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>12</mml:mn></mml:msub></mml:mrow></mml:math>
Intrinsic electronic phase separation and competition between -type, -type, and -type charge and orbital ordering modes in Open
The novel series of hole-doped quadruple manganite perovskites Hg1−xNaxMn3Mn4O12 (HNMO) has been synthesized and its charge and orbital order behavior investigated through high-resolution synchrotron powder x-ray diffraction techniques. Th…
View article: Intrinsic electronic phase separation and competition between $G$-type, $C$-type and $CE$-type charge and orbital ordering modes in Hg$_{1-x}$Na$_x$Mn$_3$Mn$_4$O$_{12}$
Intrinsic electronic phase separation and competition between $G$-type, $C$-type and $CE$-type charge and orbital ordering modes in Hg$_{1-x}$Na$_x$Mn$_3$Mn$_4$O$_{12}$ Open
The novel series of hole-doped quadruple manganite perovskites Hg$_{1-x}$Na$_x$Mn$_3$Mn$_4$O$_{12}$ (HNMO) has been synthesized and its charge and orbital order behavior investigated through high-resolution synchrotron powder x-ray diffrac…
View article: Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn <sub>2</sub> O <sub>6</sub>
Symmetry-informed design of magnetoelectric coupling in the manganite perovskite CeBaMn <sub>2</sub> O <sub>6</sub> Open
Designing a new magnetoelectric multiferroic perovskite through an innovative symmetry-informed design approach.
View article: Observation of an exotic insulator to insulator transition upon electron doping the Mott insulator CeMnAsO
Observation of an exotic insulator to insulator transition upon electron doping the Mott insulator CeMnAsO Open
View article: Observation of an Exotic Insulator to Insulator Transition upon Electron Doping the Mott Insulator CeMnAsO
Observation of an Exotic Insulator to Insulator Transition upon Electron Doping the Mott Insulator CeMnAsO Open
VASP input and output for the computational part of the paper "Observation of an Exotic Insulator to Insulator Transition upon Electron Doping the Mott Insulator CeMnAsO". stoichiometric.tar.gz: Data for stoichiometric CeMnAsOdefective.tar…
View article: Observation of an Exotic Insulator to Insulator Transition upon Electron Doping the Mott Insulator CeMnAsO
Observation of an Exotic Insulator to Insulator Transition upon Electron Doping the Mott Insulator CeMnAsO Open
VASP input and output for the computational part of the paper "Observation of an Exotic Insulator to Insulator Transition upon Electron Doping the Mott Insulator CeMnAsO". stoichiometric.tar.gz: Data for stoichiometric CeMnAsOdefective.tar…
View article: CCDC 1891223: Experimental Crystal Structure Determination
CCDC 1891223: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CSD 2179028: Experimental Crystal Structure Determination
CSD 2179028: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2179032: Experimental Crystal Structure Determination
CSD 2179032: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Localized Spin Dimers and Structural Distortions in the Hexagonal Perovskite Ba<sub>3</sub>CaMo<sub>2</sub>O<sub>9</sub>
Localized Spin Dimers and Structural Distortions in the Hexagonal Perovskite Ba<sub>3</sub>CaMo<sub>2</sub>O<sub>9</sub> Open
Extended solid-state materials based on the hexagonal perovskite framework are typified by close competition between localized magnetic interactions and quasi-molecular electronic states. Here, we report the structural and magnetic propert…
View article: A Snapshot of Prescribing in Intellectual Disability CAMHS
A Snapshot of Prescribing in Intellectual Disability CAMHS Open
Aims There is increasing recognition of the use of psychotropic medication in young people with intellectual disability (ID) at a population level but little is known about day-to-day prescribing practice. This project aimed to characteris…
View article: Room-Temperature Mixed Spin State of Co<sup>3+</sup> in Sr<sub>2</sub>Co<sub>0.02</sub>Ga<sub>0.98</sub>NbO<sub>6</sub> Double Perovskites: Combined NMR and EPR Studies in a Potential Inorganic Pigment
Room-Temperature Mixed Spin State of Co<sup>3+</sup> in Sr<sub>2</sub>Co<sub>0.02</sub>Ga<sub>0.98</sub>NbO<sub>6</sub> Double Perovskites: Combined NMR and EPR Studies in a Potential Inorganic Pigment Open
The structural and optical properties of the refractory oxides Sr2CoxGa1–xNbO6 (x = 0 and 0.02) were investigated using powder X-ray diffraction; 93Nb, 71Ga, and 59Co magic-angle spinning nuclear magnetic resonance; electron spin resonance…
View article: Electronic phase separation in the hexagonal perovskite <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Ba</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>SrMo</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>
Electronic phase separation in the hexagonal perovskite Open
ACKNOWLEDGEMENTS We thank the Carnegie Trust for the Universities of Scotland for a PhD Scholarship for S.S. We acknowledge STFC-GB for provision of beamtime at the ILL. We also thank Dr. Mark Senn (University of Warwick) for useful discus…
View article: Synthesis and Magnetic Properties of a Copper Cube: [Cu<sub>4</sub>(OH)<sub>4</sub>(C<sub>16</sub>H<sub>18</sub>N<sub>2</sub>)<sub>4</sub>]<sup>4+</sup> (ClO<sub>4</sub>)<sub>4</sub> C<sub>3</sub>H<sub>6</sub>O [C<sub>16</sub>H<sub>18</sub>N<sub>2</sub>=(<i>E</i>)‐1,6‐[Di(pyridin‐4‐yl)hex‐3‐ene]
Synthesis and Magnetic Properties of a Copper Cube: [Cu<sub>4</sub>(OH)<sub>4</sub>(C<sub>16</sub>H<sub>18</sub>N<sub>2</sub>)<sub>4</sub>]<sup>4+</sup> (ClO<sub>4</sub>)<sub>4</sub> C<sub>3</sub>H<sub>6</sub>O [C<sub>16</sub>H<sub>18</sub>N<sub>2</sub>=(<i>E</i>)‐1,6‐[Di(pyridin‐4‐yl)hex‐3‐ene] Open
The synthesis of a Cu 4 (OH) 4 cube which is coordinated by four molecules of the dipyridyl ligand 1,6‐[di(pyridin‐4‐yl)hex‐3‐ene] is reported. This compound has a trans double bond which restricts the conformational freedom of the ligand …