CSEC Publications 2015

CSEC Publications 2015

CSEC Publications 2015

 

Title: Pressure-induced localisation of the hydrogen-bond network in KOH-VI
Author(s): Hermann, A; Guthrie, M; Nelmes, RJ; Loveday, JS
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 143  Issue: 24  Article Number: 244706  DOI: 10.1063/1.4938260   Published: DEC 28 2015  
Title: Prediction of Stable Ruthenium Silicides from First-Principles Calculations: Stoichiometries, Crystal Structures, and Physical Properties
Author(s): Zhang, CZ; Kuang, XY; Jin, YY; Lu, C; Zhou, DW; Li, PF; Bao, G; Hermann, A
Source: ACS APPLIED MATERIALS & INTERFACES  Volume: 7  Issue: 48  Pages: 26776-26782  DOI: 10.1021/acsami.5b08807   Published: DEC 9 2015  
Title: Structural studies of metal-organic frameworks under high pressure
Author(s): McKellar, SC; Moggach, SA
Source: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS  Volume: 71  Special Issue: SI  Pages: 587-607  DOI: 10.1107/S2052520615018168   Part: 6  Published: DEC 2015  
Title: High-pressure BaCrO3 polytypes and the 5H-BaCrO2.8 phase
Author(s): Arevalo-Lopez, AM; Attfield, JP
Source: JOURNAL OF SOLID STATE CHEMISTRY  Volume: 232  Pages: 236-240  DOI: 10.1016/j.jssc.2015.09.029   Published: DEC 2015  
Title: Stable Lithium Argon compounds under high pressure
Author(s): Li, XF; Hermann, A; Peng, F; Lv, J; Wang, YC; Wang, H; Ma, YM
Source: SCIENTIFIC REPORTS  Volume: 5  Article Number: 16675  DOI: 10.1038/srep16675   Published: NOV 19 2015  
Title: Locating Gases in Porous Materials: Cryogenic Loading of Fuel-Related Gases Into a Sc-based Metal-Organic Framework under Extreme Pressures
Author(s): Sotelo, J; Woodall, CH; Allan, DR; Gregoryanz, E; Howie, RT; Kamenev, KV; Probert, MR; Wright, PA; Moggach, SA
Source: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION  Volume: 54  Issue: 45  Pages: 13332-13336  DOI: 10.1002/anie.201506250   Published: NOV 2 2015  
Title: Carbon-depleted outer core revealed by sound velocity measurements of liquid iron-carbon alloy
Author(s): Nakajima, Y; Imada, S; Hirose, K; Komabayashi, T; Ozawa, H; Tateno, S; Tsutsui, S; Kuwayama, Y; Baron, AQR
Source: NATURE COMMUNICATIONS  Volume: 6  Article Number: 8942  DOI: 10.1038/ncomms9942   Published: NOV 2015  
Title: Computational phase diagrams of noble gas hydrates under pressure
Author(s): Teeratchanan, P; Hermann, A
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 143  Issue: 15  Article Number: 154507  DOI: 10.1063/1.4933371   Published: OCT 21 2015  
Title: Large Magnetization and Frustration Switching of Magnetoresistance in the Double-Perovskite Ferrimagnet Mn2FeReO6
Author(s): Arevalo-Lopez, AM; McNally, GM; Attfield, JP
Source: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION  Volume: 54  Issue: 41  Pages: 12074-12077  DOI: 10.1002/anie.201506540   Published: OCT 5 2015  
Title: A flash heating method for measuring thermal conductivity at high pressure and temperature: Application to Pt
Author(s): McWilliams, RS; Konopkova, Z; Goncharov, AF
Source: PHYSICS OF THE EARTH AND PLANETARY INTERIORS  Volume: 247  Special Issue: SI  Pages: 17-26  DOI: 10.1016/j.pepi.2015.06.002   Published: OCT 2015  
Title: Spin Fluctuations from Hertz to Terahertz on a Triangular Lattice
Author(s): Nambu, Y; Gardner, JS; MacLaughlin, DE; Stock, C; Endo, H; Jonas, S; Sato, TJ; Nakatsuji, S; Broholm, C
Source: PHYSICAL REVIEW LETTERS  Volume: 115  Issue: 12  Article Number: 127202  DOI: 10.1103/PhysRevLett.115.127202   Published: SEP 15 2015  
Title: High temperature oxidation resistance in titanium-niobium alloys
Author(s): Tegner, BE; Zhu, L; Siemers, C; Saksl, K; Ackland, GJ
Source: JOURNAL OF ALLOYS AND COMPOUNDS  Volume: 643  Pages: 100-105  DOI: 10.1016/j.jallcom.2015.04.115   Published: SEP 15 2015  
Title: Spin-orbit transitions in alpha- and gamma-CoV2O6
Author(s): Wallington, F; Arevalo-Lopez, AM; Taylor, JW; Stewart, JR; Garcia-Sakai, V; Attfield, JP; Stock, C
Source: PHYSICAL REVIEW B  Volume: 92  Issue: 12  Article Number: 125116  DOI: 10.1103/PhysRevB.92.125116   Published: SEP 9 2015  
Title: Selective Metal Exsolution in BaFe2-yMy(PO4)(2) Solid Solutions
Author(s): Alcover, IB; Daviero-Minaud, S; David, R; Filimonov, D; Huve, M; Attfield, JP; Kabbour, H; Mentre, O
Source: INORGANIC CHEMISTRY  Volume: 54  Issue: 17  Pages: 8733-8743  DOI: 10.1021/acs.inorgchem.5b01360   Published: SEP 7 2015  
Title: A novel compact three-dimensional laser-sintered collimator for neutron scattering
Author(s): Ridley, CJ; Manuel, P; Khalyavin, D; Kirichek, O; Kamenev, KV
Source: REVIEW OF SCIENTIFIC INSTRUMENTS  Volume: 86  Issue: 9  Article Number: 095114  DOI: 10.1063/1.4931695   Published: SEP 2015  
Title: Direct Observation of Melting in Shock-Compressed Bismuth With Femtosecond X-ray Diffraction
Author(s): Gorman, MG; Briggs, R; McBride, EE; Higginbotham, A; Arnold, B; Eggert, JH; Fratanduono, DE; Galtier, E; Lazicki, AE; Lee, HJ; Liermann, HP; Nagler, B; Rothkirch, A; Smith, RF; Swift, DC; Collins, GW; Wark, JS; McMahon, MI
Source: PHYSICAL REVIEW LETTERS  Volume: 115  Issue: 9  Article Number: 095701  DOI: 10.1103/PhysRevLett.115.095701   Published: AUG 28 2015  
Title: Structural transformations of Li2C2 at high pressures
Author(s): Efthimiopoulos, I; Benson, DE; Konar, S; Nylen, J; Svensson, G; Haussermann, U; Liebig, S; Ruschewitz, U; Vazhenin, GV; Loa, I; Hanfland, M; Syassen, K
Source: PHYSICAL REVIEW B  Volume: 92  Issue: 6  Article Number: 064111  DOI: 10.1103/PhysRevB.92.064111   Published: AUG 19 2015  
Title: A laboratory-based Laue X-ray diffraction system for enhanced imaging range and surface grain mapping
Author(s): Whitley, W; Stock, C; Huxley, AD
Source: JOURNAL OF APPLIED CRYSTALLOGRAPHY  Volume: 48  Pages: 1342-1345  DOI: 10.1107/S1600576715009097   Part: 4  Published: AUG 2015  
Title: Hydrogenation of Graphene by Reaction at High Pressure and High Temperature
Author(s): Smith, D; Howie, RT; Crowe, IF; Simionescu, CL; Muryn, C; Vishnyakov, V; Novoselov, KS; Kim, YJ; Halsall, MP; Gregoryanz, E; Proctor, JE
Source: ACS NANO  Volume: 9  Issue: 8  Pages: 8279-8283  DOI: 10.1021/acsnano.5b02712   Published: AUG 2015  
Title: Quantum oscillations and magnetic reconstruction in the delafossite PdCrO2
Author(s): Hicks, CW; Gibbs, AS; Zhao, LS; Kushwaha, P; Borrmann, H; Mackenzie, AP; Takatsu, H; Yonezawa, S; Maeno, Y; Yelland, EA
Source: PHYSICAL REVIEW B  Volume: 92  Issue: 1  Article Number: 014425  DOI: 10.1103/PhysRevB.92.014425   Published: JUL 29 2015  
Title: Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet
Author(s): Pinkowicz, D; Rams, M; Misek, M; Kamenev, KV; Tomkowiak, H; Katrusiak, A; Sieklucka, B
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  Volume: 137  Issue: 27  Pages: 8795-8802  DOI: 10.1021/jacs.5b04303   Published: JUL 15 2015  
Title: Charge localization in the Verwey structure of magnetite
Author(s): Senn, MS; Wright, JP; Cumby, J; Attfield, JP
Source: PHYSICAL REVIEW B  Volume: 92  Issue: 2  Article Number: 024104  DOI: 10.1103/PhysRevB.92.024104   Published: JUL 7 2015  
Title: Elastic anisotropy and Poisson's ratio of solid helium under pressure
Author(s): Grechnev, A; Tretyak, SM; Freiman, YA; Goncharov, AF; Gregoryanz, E
Source: PHYSICAL REVIEW B  Volume: 92  Issue: 2  Article Number: 024102  DOI: 10.1103/PhysRevB.92.024102   Published: JUL 2 2015  
Title: Opacity and conductivity measurements in noble gases at conditions of planetary and stellar interiors
Author(s): McWilliams, RS; Dalton, DA; Konopkova, Z; Mahmood, MF; Goncharov, AF
Source: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA  Volume: 112  Issue: 26  Pages: 7925-7930  DOI: 10.1073/pnas.1421801112   Published: JUN 30 2015  
Title: Single to Multiquasiparticle Excitations in the Itinerant Helical Magnet CeRhIn5
Author(s): Stock, C; Rodriguez-Rivera, JA; Schmalzl, K; Rodriguez, EE; Stunault, A; Petrovic, C
Source: PHYSICAL REVIEW LETTERS  Volume: 114  Issue: 24  Article Number: 247005  DOI: 10.1103/PhysRevLett.114.247005   Published: JUN 19 2015  
Title: Two-Dimensional Charge Disproportionation of the Unusual High Valence State Fe4+ in a Layered Double Perovskite
Author(s): Hosaka, Y; Ichikawa, N; Saito, T; Manuel, P; Khalyavin, D; Attfield, JP; Shimakawa, Y
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  Volume: 137  Issue: 23  Pages: 7468-7473  DOI: 10.1021/jacs.5b03712   Published: JUN 17 2015  
Title: Local structure of solid Rb at megabar pressures
Author(s): De Panfilis, S; Gorelli, F; Santoro, M; Ulivi, L; Gregoryanz, E; Irifune, T; Shinmei, T; Kantor, I; Mathon, O; Pascarelli, S
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 142  Issue: 21  Article Number: 214503  DOI: 10.1063/1.4921894   Published: JUN 7 2015  
Title: Poisson's ratio in cryocrystals under pressure
Author(s): Freiman, YA; Grechnev, A; Tretyak, SM; Goncharov, AF; Gregoryanz, E
Source: LOW TEMPERATURE PHYSICS  Volume: 41  Issue: 6  Pages: 445-448  DOI: 10.1063/1.4922095   Published: JUN 2015  
Title: Manganese incorporation in synthetic hercynite
Author(s): Bromiley, GD; Gatta, GD; Stokes, T
Source: MINERALOGICAL MAGAZINE  Volume: 79  Issue: 3  Pages: 635-647  DOI: 10.1180/minmag.2015.079.3.09   Published: JUN 2015  
Title: Bromine speciation in hydrous silicate melts at high pressure
Author(s): Cochain, B; Sanloup, C; de Grouchy, C; Crepisson, C; Bureau, H; Leroy, C; Kantor, I; Irifune, T
Source: CHEMICAL GEOLOGY  Volume: 404  Pages: 18-26  DOI: 10.1016/j.chemgeo.2015.03.015   Published: MAY 26 2015  
Title: Raman spectroscopy of hot hydrogen above 200 GPa
Author(s): Howie, RT; Dalladay-Simpson, P; Gregoryanz, E
Source: NATURE MATERIALS  Volume: 14  Issue: 5  Pages: 495-499  DOI: 10.1038/NMAT4213   Published: MAY 2015  
Title: One-dimensional chain melting in incommensurate potassium
Author(s): McBride, EE; Munro, KA; Stinton, GW; Husband, RJ; Briggs, R; Liermann, HP; McMahon, MI
Source: PHYSICAL REVIEW B  Volume: 91  Issue: 14  Article Number: 144111  DOI: 10.1103/PhysRevB.91.144111   Published: APR 22 2015  
Title: Shear Melting and High Temperature Embrittlement: Theory and Application to Machining Titanium
Author(s): Healy, C; Koch, S; Siemers, C; Mukherji, D; Ackland, GJ
Source: PHYSICAL REVIEW LETTERS  Volume: 114  Issue: 16  Article Number: 165501  DOI: 10.1103/PhysRevLett.114.165501   Published: APR 21 2015  
Title: The effect of temperature and pressure on the crystal structure of piperidine
Author(s): Budd, LE; Ibberson, RM; Marshall, WG; Parsons, S
Source: CHEMISTRY CENTRAL JOURNAL  Volume: 9  DOI: 10.1186/s13065-015-0086-3   Published: APR 12 2015  
Title: A finite-element study of sapphire anvils for increased sample volumes
Author(s): Ridley, CJ; Jacobsen, MK; Kamenev, KV
Source: HIGH PRESSURE RESEARCH  Volume: 35  Issue: 2  Pages: 148-161  DOI: 10.1080/08957959.2015.1009454   Published: APR 3 2015  
Title: Raman spectroscopy of NdFeO3 at pressures up to 11 GPa
Author(s): Mihalik, M; Misek, M; Vavra, M; Lebecki, KM; Legut, D; Mihalik, M; Kamenev, KV; Zentkova, M
Source: HIGH PRESSURE RESEARCH  Volume: 35  Issue: 2  Pages: 170-175  DOI: 10.1080/08957959.2015.1017818   Published: APR 3 2015  
Title: Orbital molecules in electronic materials
Author(s): Attfield, JP
Source: APL MATERIALS  Volume: 3  Issue: 4  Article Number: 041510  DOI: 10.1063/1.4913736   Published: APR 2015  
Title: Modulated magnetism in PrPtAl
Author(s): Abdul-Jabbar, G; Sokolov, DA; O'Neill, CD; Stock, C; Wermeille, D; Demmel, F; Kruger, F; Green, AG; Levy-Bertrand, F; Grenier, B; Huxley, AD
Source: NATURE PHYSICS  Volume: 11  Issue: 4  Pages: 321-327  DOI: 10.1038/NPHYS3238   Published: APR 2015  
Title: Urea and deuterium mixtures at high pressures
Author(s): Donnelly, M; Bull, CL; Husband, RJ; Frantzana, AD; Klotz, S; Loveday, JS
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 142  Issue: 12  Article Number: 124503  DOI: 10.1063/1.4915523   Published: MAR 28 2015  
Title: Magnetic frustration in lead pyrochlores
Author(s): Hallas, AM; Arevalo-Lopez, AM; Sharma, AZ; Munsie, T; Attfield, JP; Wiebe, CR; Luke, GM
Source: PHYSICAL REVIEW B  Volume: 91  Issue: 10  Article Number: 104417  DOI: 10.1103/PhysRevB.91.104417   Published: MAR 19 2015  
Title: Development of chemical and topological structure in aluminosilicate liquids and glasses at high pressure
Author(s): Drewitt, JWE; Jahn, S; Sanloup, C; de Grouchy, C; Garbarino, G; Hennet, L
Source: JOURNAL OF PHYSICS-CONDENSED MATTER  Volume: 27  Issue: 10  Article Number: 105103  DOI: 10.1088/0953-8984/27/10/105103   Published: MAR 18 2015  
Title: On the stability of the disordered molecular alloy phase of ammonia hemihydrate
Author(s): Wilson, CW; Bull, CL; Stinton, GW; Amos, DM; Donnelly, ME; Loveday, JS
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 142  Issue: 9  Article Number: 094707  DOI: 10.1063/1.4913684   Published: MAR 7 2015  
Title: Structural changes in thermoelectric SnSe at high pressures
Author(s): Loa, I; Husband, RJ; Downie, RA; Popuri, SR; Bos, JWG
Source: JOURNAL OF PHYSICS-CONDENSED MATTER  Volume: 27  Issue: 7  Article Number: 072202  DOI: 10.1088/0953-8984/27/7/072202   Published: FEB 25 2015  
Title: High-Pressure Experimental and DFT-D Structural Studies of the Energetic Material FOX-7
Author(s): Hunter, S; Coster, PL; Davidson, AJ; Millar, DIA; Parker, SF; Marshall, WG; Smith, RI; Morrison, CA; Pulham, CR
Source: JOURNAL OF PHYSICAL CHEMISTRY C  Volume: 119  Issue: 5  Pages: 2322-2334  DOI: 10.1021/jp5110888   Published: FEB 5 2015  
Title: Spin-Glass Behavior and Incommensurate Modulation in High-Pressure Perovskite BiCr0.5Ni0.5O3
Author(s): Arevalo-Lopez, AM; Dos Santos-Garcia, AJ; Levin, JR; Attfield, JP; Alario-Franco, MA
Source: INORGANIC CHEMISTRY  Volume: 54  Issue: 3  Pages: 832-836  DOI: 10.1021/ic502012p   Published: FEB 2 2015  
Title: The architecture of an Okazaki fragment-processing holoenzyme from the archaeon Sulfolobus solfataricus
Author(s): Cannone, G; Xu, YL; Beattie, TR; Bell, SD; Spagnolo, L
Source: BIOCHEMICAL JOURNAL  Volume: 465  Pages: 239-245  DOI: 10.1042/BJ20141120   Part: 2  Published: JAN 15 2015  
Title: Stabilization of boron carbide via silicon doping
Author(s): Proctor, JE; Bhakhri, V; Hao, R; Prior, TJ; Scheler, T; Gregoryanz, E; Chhowalla, M; Giulani, F
Source: JOURNAL OF PHYSICS-CONDENSED MATTER  Volume: 27  Issue: 1  Article Number: 015401  DOI: 10.1088/0953-8984/27/1/015401   Published: JAN 14 2015  
Title: Raman spectroscopy and magnetic properties of KMCr(CN)(6) under pressure
Author(s): Zentkova, M; Vavra, M; Mihalik, M; Mihalik, M; Lazurova, J; Arnold, Z; Kamarad, J; Kamenev, K; Misek, M
Source: HIGH PRESSURE RESEARCH  Volume: 35  Issue: 1  Pages: 22-27  DOI: 10.1080/08957959.2014.998668   Published: JAN 2 2015  
Title: A new polymorph of metacetamol
Author(s): McGregor, L; Rychkov, DA; Coster, PL; Day, S; Drebushchak, VA; Achkasov, AF; Nichol, GS; Pulham, CR; Boldyreva, EV
Source: CRYSTENGCOMM  Volume: 17  Issue: 32  Pages: 6183-6192  DOI: 10.1039/c5ce00910c   Published: 2015  
Title: Stabilization of cubic Sr2FeMoO6 through topochemical reduction
Author(s): Taylor, DD; Schreiber, NJ; Brown, CM; Arevalo-Lopez, AM; Rodriguez, EE
Source: CHEMICAL COMMUNICATIONS  Volume: 51  Issue: 61  Pages: 12201-12204  DOI: 10.1039/c5cc04145g   Published: 2015  
Title: Titanium migration driven by Li vacancies in Li1-xTi2O4 spinel
Author(s): Kitada, A; Arevalo-Lopez, AM; Attfield, JP
Source: CHEMICAL COMMUNICATIONS  Volume: 51  Issue: 57  Pages: 11359-11361  DOI: 10.1039/c5cc02800k   Published: 2015  
Title: Exploration of stable stoichiometries, physical properties and hardness in the Rh-Si system: a first-principles study
Author(s): Wang, JJ; Hermann, A; Kuang, XY; Jin, YY; Lu, C; Zhang, CZ; Ju, M; Si, MT; Iitaka, T
Source: RSC ADVANCES  Volume: 5  Issue: 66  Pages: 53497-53503  DOI: 10.1039/c5ra08476h   Published: 2015  
Title: Crystal and magnetic structures of the brownmillerite Ca2Cr2O5
Author(s): Arevalo-Lopez, AM; Attfield, JP
Source: DALTON TRANSACTIONS  Volume: 44  Issue: 23  Pages: 10661-10664  DOI: 10.1039/c4dt03780d   Published: 2015  
Title: Viscosity of liquid fayalite up to 9 GPa
Author(s): Spice, H; Sanloup, C; Cochain, B; de Grouchy, C; Kono, Y
Source: GEOCHIMICA ET COSMOCHIMICA ACTA  Volume: 148  Pages: 219-227  DOI: 10.1016/j.gca.2014.09.022   Published: JAN 1 2015  
Title: Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments
Author(s): Hutchison, IB; Delori, A; Wang, X; Kamenev, KV; Urquhart, AJ; Oswald, IDH
Source: CRYSTENGCOMM  Volume: 17  Issue: 8  Pages: 1778-1782  DOI: 10.1039/c5ce00119f   Published: 2015  
Title: How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of epsilon-glycine
Author(s): Moggach, SA; Marshall, WG; Rogers, DM; Parsons, S
Source: CRYSTENGCOMM  Volume: 17  Issue: 28  Pages: 5315-5328  DOI: 10.1039/c5ce00327j   Published: 2015  
Title: Intermolecular interaction energies in transition metal coordination compounds
Author(s): Maloney, AGP; Wood, PA; Parsons, S
Source: CRYSTENGCOMM  Volume: 17  Issue: 48  Pages: 9300-9310  DOI: 10.1039/c5ce01522g   Published: 2015  
Title: A high-pressure crystallographic and magnetic study of Na-5[Mn(L-tart)2]center dot 12H(2)O
Author(s): Craig, GA; Woodall, CH; McKellar, SC; Probert, MR; Kamenev, KV; Moggach, SA; Brechin, EK; Parsons, S; Murrie, M
Source: DALTON TRANSACTIONS  Volume: 44  Issue: 42  Pages: 18324-18328  DOI: 10.1039/c5dt03320a   Published: 2015  
Title: High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6
Author(s): Solana-Madruga, E; Dos Santos-Garcia, AJ; Arevalo-Lopez, AM; Avila-Brande, D; Ritter, C; Attfield, JP; Saez-Puche, R
Source: DALTON TRANSACTIONS  Volume: 44  Issue: 47  Pages: 20441-20448  DOI: 10.1039/c5dt03445k   Published: 2015  
Title: Studies on bifunctional Fe(II)-triazole spin crossover nanoparticles: time-dependent luminescence, surface grafting and the effect of a silica shell and hydrostatic pressure on the magnetic properties
Author(s): Herrera, JM; Titos-Padilla, S; Pope, SJA; Berlanga, I; Zamora, F; Delgado, JJ; Kamenev, KV; Wang, X; Prescimone, A; Brechin, EK; Colacio, E
Source: JOURNAL OF MATERIALS CHEMISTRY C  Volume: 3  Issue: 30  Pages: 7819-7829  DOI: 10.1039/c5tc00685f   Published: 2015