CSEC Publications 2019

CSEC Publications 2019

Title: Low-background materials for high pressure cells used in inelastic neutron scattering experiments
Author(s): Kibble, MG; Laliena, V; Goodway, CM; Lelievre-Berna, E; Kamenev, KV; Klotz, S; Kirichek, O
Source: JOURNAL OF NEUTRON RESEARCH  Volume: 21  Issue: 3-4  Pages: 105-116  DOI: 10.3233/JNR-190115   Published: 2019  
Title: A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data
Author(s): van de Streek, J; Alig, E; Parsons, S; Vella-Zarb, L
Source: IUCRJ  Volume: 6  Pages: 136-144  DOI: 10.1107/S205225251801686X   Part: 1  Published: JAN 2019  
Title: Phase transition boundary between fcc and hcp structures in Fe-Si alloy and its implications for terrestrial planetary cores
Author(s): Komabayashi, T; Pesce, G; Morard, G; Antonangeli, D; Sinmyo, R; Mezouar, M
Source: AMERICAN MINERALOGIST  Volume: 104  Issue: 1  Pages: 94-99  DOI: 10.2138/am-2019-6636   Published: JAN 2019  
Title: An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules
Author(s): Liu, XJ; Michalchuk, AAL; Pulham, CR; Boldyreva, EV
Source: ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY  Volume: 75  Pages: 29-+  DOI: 10.1107/S2053229618016911   Part: 1  Published: JAN 2019  
Title: hcp -> omega phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study
Author(s): Zong, HX; Luo, YF; Ding, XD; Lookman, T; Ackland, GJ
Source: ACTA MATERIALIA  Volume: 162  Pages: 126-135  DOI: 10.1016/j.actamat.2018.09.067   Published: JAN 1 2019  
Title: Cation-ordered Pb2-xBixMnO4 solid solutions with magnetic frustration
Author(s): Yin, CL; Solana-Madruga, E; Chen, HW; Attfield, JP
Source: JOURNAL OF SOLID STATE CHEMISTRY  Volume: 269  Pages: 336-340  DOI: 10.1016/j.jssc.2018.09.047   Published: JAN 2019  
Title: Electronic origins of the giant volume collapse in the pyrite mineral MnS2
Author(s): Durkee, D; Smith, D; Torchio, R; Petitgirard, S; Briggs, R; Kantor, I; Evans, SR; Chatterji, T; Irifune, T; Pascarelli, S; Lawler, KV; Salamat, A; Kimber, SAJ
Source: JOURNAL OF SOLID STATE CHEMISTRY  Volume: 269  Pages: 540-546  DOI: 10.1016/j.jssc.2018.10.032   Published: JAN 2019  
Title: High-pressure neutron diffraction study of Pd3Fe
Author(s): Ridley, CJ; Bull, CL; Funnell, NP; Capelli, SC; Manuel, P; Khalyavin, DD; O'Neill, CD; Kamenev, KV
Source: JOURNAL OF APPLIED PHYSICS  Volume: 125  Issue: 1  Article Number: 015901  DOI: 10.1063/1.5079804   Published: JAN 7 2019  
Title: Intensity of Raman modes as a temperature gauge in fluid hydrogen and deuterium
Author(s): Pena-Alvarez, M; Dalladay-Simpson, P; Liu, XD; Afonina, V; Zhang, HC; Howie, RT; Gregoryanz, E
Source: JOURNAL OF APPLIED PHYSICS  Volume: 125  Issue: 2  Article Number: 025901  DOI: 10.1063/1.5070113   Published: JAN 14 2019  
Title: Stone-Wales graphene: A two-dimensional carbon semimetal with magic stability
Author(s): Yin, HC; Shi, XZ; He, CY; Martinez-Canales, M; Li, J; Pickard, CJ; Tang, C; Ouyang, T; Zhang, CX; Zhong, JX
Source: PHYSICAL REVIEW B  Volume: 99  Issue: 4  Article Number: 041405  DOI: 10.1103/PhysRevB.99.041405   Published: JAN 22 2019  
Title: Distortions in the cubic primitive high-pressure phases of calcium
Author(s): Schwarz, U; Kasinathan, D; Bergner, C; Hunger, J; Meier-Kircher, K; Akselrud, L; Hanfland, M; Mezouar, M; Glazyrin, K; Stinton, GW; Husband, R; Rosner, H; McMahon, MI
Source: JOURNAL OF PHYSICS-CONDENSED MATTER  Volume: 31  Issue: 6  Article Number: 065401  DOI: 10.1088/1361-648X/aaf49b   Published: FEB 13 2019  
Title: Coexistence of metallic and nonmetallic properties in the pyrochlore Lu2Rh2O7
Author(s): Hallas, AM; Sharma, AZ; Mauws, C; Chen, Q; Zhou, HDD; Ding, C; Gong, ZZ; Tachibana, M; Sarte, PM; Attfield, JP; Luke, GM; Wiebe, CR
Source: NPJ QUANTUM MATERIALS  Volume: 4  Article Number: 9  DOI: 10.1038/s41535-019-0148-1   Published: MAR 1 2019  
Title: Ferri- and ferro-magnetism in CaMnMReO6 double double perovskites of late transition metals M = Co and Ni Data that support the findings of this study have been deposited at https://datashare.is.ed.ac.uk/handle/10283/838.
Author(s): Solana-Madruga, E; Sun, Y; Arevalo-Lopez, AM; Attfield, JP
Source: CHEMICAL COMMUNICATIONS  Volume: 55  Issue: 18  Pages: 2605-2608  DOI: 10.1039/c8cc09612k   Published: MAR 4 2019  
Title: Direct Reaction between Copper and Nitrogen at High Pressures and Temperatures
Author(s): Binns, J; Donnelly, ME; Pena-Alvarez, M; Wang, MN; Gregoryanz, E; Hermann, A; Dalladay-Simpson, P; Howie, RT
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS  Volume: 10  Issue: 5  Pages: 1109-1114  DOI: 10.1021/acs.jpclett.9b00070   Published: MAR 7 2019  
Title: Band gap closure, incommensurability and molecular dissociation of dense chlorine
Author(s): Dalladay-Simpson, P; Binns, J; Pena-Alvarez, M; Donnelly, ME; Greenberg, E; Prakapenka, V; Chen, XJ; Gregoryanz, E; Howie, RT
Source: NATURE COMMUNICATIONS  Volume: 10  Article Number: 1134  DOI: 10.1038/s41467-019-09108-x   Published: MAR 8 2019  
Title: High-Pressure Neutron Diffraction Study of LaCoO3
Author(s): Capone, M; Ridley, CJ; Funnell, NP; Guthrie, M; Bull, CL
Source: PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE  Volume: 216  Issue: 6  Article Number: 1800736  DOI: 10.1002/pssa.201800736   Published: MAR 20 2019  
Title: Recovery of metastable dense Bi synthesized by shock compression
Author(s): Gorman, MG; Coleman, AL; Briggs, R; McWilliams, RS; Hermann, A; McGonegle, D; Bolme, CA; Gleason, AE; Galtier, E; Lee, HJ; Granados, E; McBride, EE; Rothman, S; Fratanduono, DE; Smith, RF; Collins, GW; Eggert, JH; Wark, JS; McMahon, MI
Source: APPLIED PHYSICS LETTERS  Volume: 114  Issue: 12  Article Number: 120601  DOI: 10.1063/1.5085678   Published: MAR 25 2019  
Title: Pressure promoted low-temperature melting of metal-organic frameworks
Author(s): Widmer, RN; Lampronti, GI; Anzellini, S; Gaillac, R; Farsang, S; Zhou, C; Belenguer, AM; Wilson, CW; Palmer, H; Kleppe, AK; Wharmby, MT; Yu, X; Cohen, SM; Telfer, SG; Redfern, SAT; Coudert, FX; MacLeod, SG; Bennett, TD
Source: NATURE MATERIALS  Volume: 18  Issue: 4  Pages: 370-+  DOI: 10.1038/s41563-019-0317-4   Published: APR 2019  
Title: Polymerized 4-Fold Coordinated Carbonate Melts in the Deep Mantle
Author(s): Sanloup, C; Hudspeth, JM; Afonina, V; Cochain, B; Konopkova, Z; Lelong, G; Cormier, L; Cavallari, C
Source: FRONTIERS IN EARTH SCIENCE  Volume: 7  Article Number: 72  DOI: 10.3389/feart.2019.00072   Published: APR 10 2019  
Title: Phase relations in the system Fe-Ni-Si to 200 GPa and 3900 K and implications for Earth's core
Author(s): Komabayashi, T; Pesce, G; Sinmyo, R; Kawazoe, T; Breton, H; Shimoyama, Y; Glazyrin, K; Konopkova, Z; Mezouar, M
Source: EARTH AND PLANETARY SCIENCE LETTERS  Volume: 512  Pages: 83-88  DOI: 10.1016/j.epsl.2019.01.056   Published: APR 15 2019  
Title: High Pressure Hydrocarbons Revisited: From van der Waals Compounds to Diamond
Author(s): Conway, LJ; Hermann, A
Source: GEOSCIENCES  Volume: 9  Issue: 5  Article Number: 227  DOI: 10.3390/geosciences9050227   Published: MAY 2019  
Title: Static compression of B2 KCl to 230 GPa and its P-V-T equation of state
Author(s): Tateno, S; Komabayashi, T; Hirose, K; Hirao, N; Ohishi, Y
Source: AMERICAN MINERALOGIST  Volume: 104  Issue: 5  Pages: 718-723  DOI: 10.2138/am-2019-6779   Published: MAY 2019  
Title: The Effect of Pressure on Halogen Bonding in 4-Iodobenzonitrile
Author(s): Giordano, N; Afanasjevs, S; Beavers, CM; Hobday, CL; Kamenev, KV; O'Bannon, EF; Ruiz-Fuertes, J; Teat, SJ; Valiente, R; Parsons, S
Source: MOLECULES  Volume: 24  Issue: 10  Article Number: 2018  DOI: 10.3390/molecules24102018   Published: MAY 2 2019  
Title: Band gap closure, incommensurability and molecular dissociation of dense chlorine
Author(s): Dalladay-Simpson, P; Binns, J; Pena-Alvarez, M; Donnelly, ME; Greenberg, E; Prakapenka, V; Chen, XJ; Gregoryanz, E; Howie, RT
Source: NATURE COMMUNICATIONS  Volume: 10  Article Number: 2102  DOI: 10.1038/s41467-019-10187-z   Published: MAY 3 2019  
Title: Production of Biogenic Nanoparticles for the Reduction of 4-Nitrophenol and Oxidative Laccase-Like Reactions
Author(s): Capeness, MJ; Echavarri-Bravo, V; Horsfall, LE
Source: FRONTIERS IN MICROBIOLOGY  Volume: 10  Article Number: 997  DOI: 10.3389/fmicb.2019.00997   Published: MAY 7 2019  
Title: On the chain-melted phase of matter
Author(s): Robinson, VN; Zong, HX; Ackland, GJ; Woolman, G; Hermann, A
Source: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA  Volume: 116  Issue: 21  Pages: 10297-10302  DOI: 10.1073/pnas.1900985116   Published: MAY 21 2019  
Title: Structure and disorder in ice VII on the approach to hydrogen-bond symmetrization
Author(s): Guthrie, M; Boehler, R; Molaison, JJ; Haberl, B; dos Santos, AM; Tulk, C
Source: PHYSICAL REVIEW B  Volume: 99  Issue: 18  Article Number: 184112  DOI: 10.1103/PhysRevB.99.184112   Published: MAY 23 2019  
Title: Post-tilleyite, a dense calcium silicate-carbonate phase
Author(s): Santamaria-Perez, D; Ruiz-Fuertes, J; Pena-Alvarez, M; Chulia-Jordan, R; Marqueno, T; Zimmer, D; Gutierrez-Cano, V; MacLeod, S; Gregoryanz, E; Popescu, C; Rodriguez-Hernandez, P; Munoz, A
Source: SCIENTIFIC REPORTS  Volume: 9  Article Number: 7898  DOI: 10.1038/s41598-019-44326-9   Published: MAY 27 2019  
Title: Structural Studies on the Cu-H System under Compression
Author(s): Binns, J; Pena-Alvarez, M; Donnelly, ME; Gregoryanz, E; Howie, RT; Dalladay-Simpson, P
Source: ENGINEERING  Volume: 5  Issue: 3  Pages: 505-509  DOI: 10.1016/j.eng.2019.03.001   Published: JUN 2019  
Title: Exotic Hydrogen Bonding in Compressed Ammonia Hydrides
Author(s): Song, XQ; Yin, KT; Wang, YC; Hermann, A; Liu, HY; Lv, J; Li, Q; Chen, CF; Ma, YM
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS  Volume: 10  Issue: 11  Pages: 2761-2766  DOI: 10.1021/acs.jpclett.9b00973   Published: JUN 6 2019  
Title: Reactivity of lithium and platinum at elevated densities
Author(s): Binns, J; Marques, M; Dalladay-Simpson, P; Turnbull, R; Frost, M; Gregoryanz, E; Howie, RT
Source: PHYSICAL REVIEW B  Volume: 99  Issue: 22  Article Number: 220101  DOI: 10.1103/PhysRevB.99.220101   Published: JUN 10 2019  
Title: Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space
Author(s): Widmer, RN; Lampronti, GI; Chibani, S; Wilson, CW; Anzellini, S; Farsang, S; Kleppe, AK; Casati, NPM; MacLeod, SG; Redfern, SAT; Coudert, FX; Bennett, TD
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  Volume: 141  Issue: 23  Pages: 9330-9337  DOI: 10.1021/jacs.9b03234   Published: JUN 12 2019  
Title: Solid solution formation in the metatorbernite-metazeunerite system(2)(PO4)(2-x)(AsO4)(x)center dot nH(2)O) and their stability under conditions of variable temperature
Author(s): Kulaszewska, J; Dann, S; Warwick, P; Kirk, C
Source: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES  Volume: 377  Issue: 2147  Article Number: 20180242  DOI: 10.1098/rsta.2018.0242   Published: JUN 17 2019  
Title: Polymerized 4-Fold Coordinated Carbonate Melts in the Deep Mantle
Author(s): Sanloup, C; Hudspeth, JM; Afonina, V; Cochain, B; Konopkova, Z; Lelong, G; Cormier, L; Cavallari, C
Source: FRONTIERS IN EARTH SCIENCE  Volume: 7  Article Number: 155  DOI: 10.3389/feart.2019.00155   Published: JUN 25 2019  
Title: Co-emergence of magnetic order and structural fluctuations in magnetite
Author(s): Perversi, G; Pachoud, E; Cumby, J; Hudspeth, JM; Wright, JP; Kimber, SAJ; Attfield, JP
Source: NATURE COMMUNICATIONS  Volume: 10  Article Number: 2857  DOI: 10.1038/s41467-019-10949-9   Published: JUN 28 2019  
Title: Amorphous and crystalline ices studied by dielectric spectroscopy
Author(s): Plaga, LJ; Raidt, A; Landete, VF; Amann-Winkel, K; Massani, B; Gasser, TM; Gainaru, C; Loerting, T; Bohmer, R
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 150  Issue: 24  Article Number: 244501  DOI: 10.1063/1.5100785   Published: JUN 28 2019  
Title: Identification of Phase Transitions and Metastability in Dynamically Compressed Antimony Using Ultrafast X-Ray Diffraction
Author(s): Coleman, AL; Gorman, MG; Briggs, R; McWilliams, RS; McGonegle, D; Bolme, CA; Gleason, AE; Fratanduono, DE; Smith, RF; Galtier, E; Lee, HJ; Nagler, B; Granados, E; Collins, GW; Eggert, JH; Wark, JS; McMahon, MI
Source: PHYSICAL REVIEW LETTERS  Volume: 122  Issue: 25  Article Number: 255704  DOI: 10.1103/PhysRevLett.122.255704   Published: JUN 28 2019  
Title: The Zeolitic Imidazolate Framework ZIF-4 under Low Hydrostatic Pressures
Author(s): Vervoorts, P; Hobday, CL; Ehrenreich, MG; Daisenberger, D; Kieslich, G
Source: ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE  Volume: 645  Issue: 15  Pages: 970-974  DOI: 10.1002/zaac.201900046   Early Access Date: JUL 2019   Published: AUG 15 2019  
Title: Structure and magnetism of collapsed lanthanide elements
Author(s): McMahon, MI; Finnegan, S; Husband, RJ; Munro, KA; Plekhanov, E; Bonini, N; Weber, C; Hanfland, M; Schwarz, U; Macleod, SG
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 2  Article Number: 024107  DOI: 10.1103/PhysRevB.100.024107   Published: JUL 22 2019  
Title: High-pressure crystallisation studies of biodiesel and methyl stearate
Author(s): Liu, X; Bull, CL; Kleppe, AK; Dowding, PJ; Lewtas, K; Pulham, CR
Source: CRYSTENGCOMM  Volume: 21  Issue: 30  Pages: 4427-4436  DOI: 10.1039/c9ce00393b   Published: AUG 14 2019  
Title: High-pressure polymorphism in L-threonine between ambient pressure and 22 GPa
Author(s): Giordano, N; Beavers, CM; Kamenev, KV; Marshall, WG; Moggach, SA; Patterson, SD; Teat, SJ; Warren, JE; Wood, PA; Parsons, S
Source: CRYSTENGCOMM  Volume: 21  Issue: 30  Pages: 4444-4456  DOI: 10.1039/c9ce00388f   Published: AUG 14 2019  
Title: Spin-orbit excitons in CoO
Author(s): Sarte, PM; Songvilay, M; Pachoud, E; Ewings, RA; Frost, CD; Prabhakaran, D; Hong, KH; Browne, AJ; Yamani, Z; Attfield, JP; Rodriguez, EE; Wilson, SD; Stock, C
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 7  Article Number: 075143  DOI: 10.1103/PhysRevB.100.075143   Published: AUG 22 2019  
Title: Geoscience material structures prediction via CALYPSO methodology
Author(s): Hermann, A
Source: CHINESE PHYSICS B  Volume: 28  Issue: 10  Article Number: 106107  DOI: 10.1088/1674-1056/ab43bc   Published: SEP 2019  
Title: Cluster structure prediction via CALYPSO method
Author(s): Tian, YH; Sun, WG; Chen, BL; Jin, YY; Lu, C
Source: CHINESE PHYSICS B  Volume: 28  Issue: 10  Article Number: 103104  DOI: 10.1088/1674-1056/ab4274   Published: SEP 2019  
Title: Resonant inelastic X-ray scattering of magnetic excitations under pressure
Author(s): Rossi, M; Henriquet, C; Jacobs, J; Donnerer, C; Boseggia, S; Al-Zein, A; Fumagalli, R; Yao, Y; Vale, JG; Hunter, EC; Perry, RS; Kantor, I; Garbarino, G; Crichton, W; Monaco, G; McMorrow, DF; Krisch, M; Sala, MM
Source: JOURNAL OF SYNCHROTRON RADIATION  Volume: 26  Pages: 1725-1732  DOI: 10.1107/S1600577519008877   Part: 5  Published: SEP 2019  
Title: First-Principles Prediction of Structures and Properties in Crystals
Author(s): Hermann, A; Kurzydlowski, D
Source: CRYSTALS  Volume: 9  Issue: 9  Article Number: 463  DOI: 10.3390/cryst9090463   Published: SEP 2019  
Title: Predicting the reactivity of energetic materials: an ab initio multi-phonon approach
Author(s): Michalchuk, AAL; Trestman, M; Rudic, S; Portius, P; Fincham, PT; Pulham, CR; Morrison, CA
Source: JOURNAL OF MATERIALS CHEMISTRY A  Volume: 7  Issue: 33  Pages: 19539-19553  DOI: 10.1039/c9ta06209b   Published: SEP 7 2019  
Title: Molecules under Pressure: The Case of [n]Cycloparaphenylenes
Author(s): Pena-Alvarez, M; Qiu, LL; Baonza, VG; Taravillo, M; Kertesz, M; Casado, J
Source: CHEMISTRY OF MATERIALS  Volume: 31  Issue: 17  Pages: 6443-6452  DOI: 10.1021/acs.chemmater.8b04173   Published: SEP 10 2019  
Title: On a new nitrogen sX hydrate from ice XVII
Author(s): Massani, B; Conway, LJ; Hermann, A; Loveday, J
Source: JOURNAL OF CHEMICAL PHYSICS  Volume: 151  Issue: 10  Article Number: 104305  DOI: 10.1063/1.5100868   Published: SEP 14 2019  
Title: Pressure-Induced Miscibility Increase of CH4 in H2O: A Computational Study Using Classical Potentials
Author(s): Pruteanu, CG; Marenduzzo, D; Loveday, JS
Source: JOURNAL OF PHYSICAL CHEMISTRY B  Volume: 123  Issue: 38  Pages: 8091-8095  DOI: 10.1021/acs.jpcb.9b06086   Published: SEP 26 2019  
Title: Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions
Author(s): Errandonea, D; MacLeod, SG; Burakovsky, L; Santamaria-Perez, D; Proctor, JE; Cynn, H; Mezouar, M
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 9  Article Number: 094111  DOI: 10.1103/PhysRevB.100.094111   Published: SEP 30 2019  
Title: Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure
Author(s): Pena-Alvarez, M; Fanetti, S; Falsini, N; Novelli, G; Casado, J; Baonza, VG; Taravillo, M; Parsons, S; Bini, R; Citroni, M
Source: MOLECULES  Volume: 24  Issue: 19  Article Number: 3496  DOI: 10.3390/molecules24193496   Published: OCT 2019  
Title: Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell
Author(s): Anzellini, S; Errandonea, D; Cazorla, C; MacLeod, S; Monteseguro, V; Boccato, S; Bandiello, E; Anichtchenko, DD; Popescu, C; Beavers, CM
Source: SCIENTIFIC REPORTS  Volume: 9  Article Number: 14459  DOI: 10.1038/s41598-019-51037-8   Published: OCT 8 2019  
Title: Dipolar spin ice under uniaxial pressure
Author(s): Edberg, R; Sandberg, LO; Bakke, IMB; Haubro, ML; Folkers, LC; Mangin-Thro, L; Wildes, A; Zaharko, O; Guthrie, M; Holmes, AT; Sorby, MH; Lefmann, K; Deen, PP; Henelius, P
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 14  Article Number: 144436  DOI: 10.1103/PhysRevB.100.144436   Published: OCT 25 2019  
Title: Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen
Author(s): Geng, HY; Wu, Q; Marques, M; Ackland, GJ
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 13  Article Number: 134109  DOI: 10.1103/PhysRevB.100.134109   Published: OCT 28 2019  
Title: High-Pressure Study of Two Polymorphs of 2,4,6-Trinitrotoluene Using Neutron Powder Diffraction and Density Functional Theory Methods
Author(s): Konar, S; Michalchuk, AAL; Sen, N; Bull, CL; Morrison, CA; Pulham, CR
Source: JOURNAL OF PHYSICAL CHEMISTRY C  Volume: 123  Issue: 43  Pages: 26095-26105  DOI: 10.1021/acs.jpcc.9b07658   Published: OCT 31 2019  
Title: Transition from Gas-like to Liquid-like Behavior in Supercritical N-2
Author(s): Proctor, JE; Pruteanu, CG; Morrison, I; Crowe, IF; Loveday, JS
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS  Volume: 10  Issue: 21  Pages: 6584-6589  DOI: 10.1021/acs.jpclett.9b02358   Published: NOV 7 2019  
Title: Praseodymium polyhydrides synthesized at high temperatures and pressures
Author(s): Pena-Alvarez, M; Binns, J; Hermann, A; Kelsall, LC; Dalladay-Simpson, P; Gregoryanz, E; Howie, RT
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 18  Article Number: 184109  DOI: 10.1103/PhysRevB.100.184109   Published: NOV 13 2019  
Title: Possible topological contribution to the anomalous Hall effect of the noncollinear ferromagnet Fe3Sn2
Author(s): O'Neill, CD; Wills, AS; Huxley, AD
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 17  Article Number: 174420  DOI: 10.1103/PhysRevB.100.174420   Published: NOV 18 2019  
Title: A Spectroscopic Study of the Insulator-Metal Transition in Liquid Hydrogen and Deuterium
Author(s): Jiang, SQ; Holtgrewe, N; Geballe, ZM; Lobanov, SS; Mahmood, MF; McWilliams, RS; Goncharov, AF
Source: ADVANCED SCIENCE  Volume: 7  Issue: 2  Article Number: 1901668  DOI: 10.1002/advs.201901668   Early Access Date: NOV 2019   Published: JAN 2020  
Title: Automated oxidation-state assignment for metal sites in coordination complexes in the Cambridge Structural Database
Author(s): Reeves, MG; Wood, PA; Parsons, S
Source: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS  Volume: 75  Pages: 1096-1105  DOI: 10.1107/S2052520619013040   Part: 6  Published: DEC 2019  
Title: Static compression of Fe4N to 77 GPa and its implications for nitrogen storage in the deep Earth
Author(s): Breton, H; Komabayashi, T; Thompson, S; Potts, N; McGuire, C; Suehiro, S; Anzellini, S; Ohishi, Y
Source: AMERICAN MINERALOGIST  Volume: 104  Issue: 12  Pages: 1781-1787  DOI: 10.2138/am-2019-7065   Published: DEC 2019  
Title: Influence of Crystal Packing on the Mechanism of Decomposition of the Acetonitrile-Solvated Cocrystal of Piroxicam and Succinic Acid
Author(s): Liu, XJ; Tang, CC; Boldyreva, EV; Pulham, CR
Source: CRYSTAL GROWTH & DESIGN  Volume: 19  Issue: 12  Pages: 7315-7323  DOI: 10.1021/acs.cgd.9b01189   Published: DEC 2019  
Title: Commensurate-incommensurate phase transition of dense potassium simulated by machine-learned interatomic potential
Author(s): Zhao, L; Zong, HX; Ding, XD; Sun, J; Ackland, GJ
Source: PHYSICAL REVIEW B  Volume: 100  Issue: 22  Article Number: 220101  DOI: 10.1103/PhysRevB.100.220101   Published: DEC 2 2019  
Title: Magnetic frustration in the high-pressure Mn2MnTeO6 double perovskite
Author(s): Arevalo-Lopez, AM; Solana-Madruga, E; Aguilar-Maldonado, C; Ritter, C; Mentre, O; Attfield, JP
Source: CHEMICAL COMMUNICATIONS  Volume: 55  Issue: 96  Pages: 14470-14473  DOI: 10.1039/c9cc07733b   Published: DEC 14 2019  
Title: Predicted high-temperature superconductivity in cerium hydrides at high pressures
Author(s): Li, B; Miao, ZL; Ti, L; Liu, SL; Chen, J; Shi, ZX; Gregoryanz, E
Source: JOURNAL OF APPLIED PHYSICS  Volume: 126  Issue: 23  Article Number: 235901  DOI: 10.1063/1.5130583   Published: DEC 21 2019  
Title: Coordination changes in liquid tin under shock compression determined using in situ femtosecond x-ray diffraction
Author(s): Briggs, R; Gorman, MG; Zhang, S; McGonegle, D; Coleman, AL; Coppari, F; Morales-Silva, MA; Smith, RF; Wicks, JK; Bolme, CA; Gleason, AE; Cunningham, E; Lee, HJ; Nagler, B; McMahon, MI; Eggert, JH; Fratanduono, DE
Source: APPLIED PHYSICS LETTERS  Volume: 115  Issue: 26  Article Number: 264101  DOI: 10.1063/1.5127291   Published: DEC 23 2019