LCN Publications 2007

The following papers were published by LCN members in 2007:

Alfe, D. and M. J. Gillan (2007). "Ab initio statistical mechanics of surface adsorption and desorption. I. H2O on MgO (001) at low coverage." Journal of Chemical Physics 127(11).

Alfe, D., M. J. Gillan, et al. (2007). "Temperature and composition of the Earth's core." Contemporary Physics 48(2): 63-80.

Barquin, L. F., R. G. Calderon, et al. (2007). "Neutron spin echo evidence of mesoscopic spin correlations among Fe(Cu) ferromagnetic nanoparticles in a silver diamagnetic matrix." Physical Review B 76(17).

Barquin, L. F., R. G. Calderon, et al. (2007). "SANS evidence of magnetic correlations among nanoparticles in granular Fe22Cu14Ag64." Journal of Magnetism and Magnetic Materials 310(2): 2518-2520.

Barquin, L. F., A. Yedra, et al. (2007). "X-ray absorption analysis of core/shell magnetic (Fe,Co)-B nanoparticles of amorphous and crystalline structure obtained by chemical reduction." Journal of Non-Crystalline Solids 353(8-10): 733-737.

Beecher, P., P. Servati, et al. (2007). "Ink-jet printing of carbon nanotube thin film transistors." Journal of Applied Physics 102(4).

Blanco, E. M., S. A. Nesbitt, et al. (2007). "A multiprotein microarray on silicon dioxide fabricated by using electric-droplet lithography." Advanced Materials 19(18): 2469-+.

Bodrozic, V., M. Roberts, et al. (2007). "The influence of subgap features in the electromodulation and built-in voltage measurements of polyfluorene blue light-emitting diodes with anodic charge injection layers." Journal of Applied Physics 101(8).

Boscher, N. D., C. J. Carmalt, et al. (2007). "Synthesis and charaterisation of chromium oxyselenide (Cr2Se0.7O2.3) formed from chemical vapour synthesis: A new antiferromagnet." European Journal of Inorganic Chemistry(29): 4579-4582.

Bowler, D. R. and J. H. G. Owen (2007). "Molecular interactions and decomposition pathways of NH3 on Si(001)." Physical Review B 75(15).

Bozec, L., G. van der Heijden, et al. (2007). "Collagen fibrils: Nanoscale ropes." Biophysical Journal 92(1): 70-75.

Brovelli, S., N. Chiodini, et al. (2007). Light emission and structural properties of undoped and erbium-doped nanostructured silica with SnO2 nanoparticles - art. no. 65930P. Photonic Materials, Devices, and Applications II. A. Serpenguzel, G. Badenes and G. C. Righini. 6593: P5930-P5930.

Brovelli, S., A. Galli, et al. (2007). "Efficient 1.53 mu m erbium light emission in heavily Er-doped titania-modified aluminium tellurite glasses." Journal of Non-Crystalline Solids 353(22-23): 2150-2156.

Cabailh, G., X. Torrelles, et al. (2007). "Geometric structure of TiO2(110)(1x1): Achieving experimental consensus." Physical Review B 75(24).

Cazorla, C., M. J. Gillan, et al. (2007). "Ab initio melting curve of molybdenum by the phase coexistence method." Journal of Chemical Physics 126(19).

Chaji, G. R. and A. Nathan (2007). "Parallel addressing scheme for voltage-programmed active-matrix OLED displays." Ieee Transactions on Electron Devices 54(5): 1095-1100.

Chaji, G. R., C. Ng, et al. (2007). "Electrical compensation of OLED luminance degradation." Ieee Electron Device Letters 28(12): 1108-1110.

Chang, J., A. P. Schnyder, et al. (2007). "Magnetic-field-induced spin excitations and renormalized spin gap of the underdoped La1.895Sr0.105CuO4 superconductor." Physical Review Letters 98(7).

Chiodini, N., A. Paleari, et al. (2007). "Sol-gel synthesis of Ge nanophases in silica." Solid State Communications 144(10-11): 429-432.

Christensen, N. B., H. M. Ronnow, et al. (2007). "Quantum dynamics and entanglement of spins on a square lattice." Proceedings of the National Academy of Sciences of the United States of America 104(39): 15264-15269.

Christensen, N. B., H. M. Ronnow, et al. (2007). "Nature of the magnetic order in the charge-ordered cuprate La1.48Nd0.4Sr0.12CuO4." Physical Review Letters 98(19).

Coomer, F. C., V. Bondah-Jagalu, et al. (2007). "Neutron diffraction studies of nuclear and magnetic structures in the S=1/2 square Heisenberg antiferromagnets (d(6)-5CAP)(2)CuX4 (X=Br and Cl)." Physical Review B 75(9).

De Santis, S., B. Bryant, et al. (2007). "Imaging of polarons in ferromagnetic bilayered manganites by scanning tunnelling microscopy." Journal of Superconductivity and Novel Magnetism 20(7-8): 531-533.

Dynes, J. F. and E. Paspalakis (2007). Coherent control of an asymmetric semiconductor quantum well structure. Physica Status Solidi C - Current Topics in Solid State Physics, Vol 4, No 2. M. Stutzmann. 4: 421-423.

Esmaeili-Rad, M. R., F. Li, et al. (2007). "Stability of nanocrystalline silicon bottom-gate thin film transistors with silicon nitride gate dielectric." Journal of Applied Physics 102(6).

Esmaeili-Rad, M. R., A. Sazonov, et al. (2007). "Optical properties of nanocrystalline silicon deposited by PECVD." Journal of Materials Science-Materials in Electronics 18: S405-S409.

Esmaeili-Rad, M. R., A. Sazonov, et al. (2007). "Absence of defect state creation in nanocrystalline silicon thin film transistors deduced from constant current stress measurements." Applied Physics Letters 91(11).

Feast, W. J., F. Cacialli, et al. (2007). "Control of luminescence in conjugated polymers through control of chain microstructure." Journal of Materials Chemistry 17(9): 907-912.

Fennell, T., S. T. Bramwell, et al. (2007). "Pinch points and Kasteleyn transitions in kagome ice." Nature Physics 3(8): 566-572.

Fox, H., M. J. Gillan, et al. (2007). "Methods for calculating the desorption rate of an isolated molecule from a surface: Water on MgO(001)." Surface Science 601(21): 5016-5025.

Gavartin, J. L. and A. L. Shluger (2007). "Modeling HfO2/SiO2/Si interface." Microelectronic Engineering 84(9-10): 2412-2415.

Gillan, M. J., D. R. Bowler, et al. (2007). "Order-N first-principles calculations with the CONQUEST code." Computer Physics Communications 177(1-2): 14-18.

Gryko, P., M. Liang, et al. (2007). "Observation of interference effects in coherent diffraction of nanocrystals under X-ray standing-wave illumination." Journal of Synchrotron Radiation 14: 471-476.

Hao, L., J. C. Macfarlane, et al. (2007). "Spatial resolution assessment of Nano-SQUIDs made by focused ion beam." Ieee Transactions on Applied Superconductivity 17(2): 742-745.

Harder, R., M. A. Pfeifer, et al. (2007). "Orientation variation of surface strain." Physical Review B 76(11).

He, G., Q. Fang, et al. (2007). "Structural and optical properties of nitrogen-incorporated HfO2 gate dielectrics deposited by reactive sputtering." Applied Surface Science 253(20): 8483-8488.

He, G., L. Q. Zhu, et al. (2007). "Optical and electrical properties of plasma-oxidation derived HfO2 gate dielectric films." Applied Surface Science 253(7): 3413-3418.

Heutz, S., C. Mitra, et al. (2007). "Molecular thin films: A new type of magnetic switch." Advanced Materials 19(21): 3618-+.

Heutz, S., P. Sullivan, et al. (2007). Molecular thin films for optoelectronic applications. Nanoscience and Technology, Pts 1 and 2. C. Bai, S. Xie and X. Zhu. 121-123: 373-376.

Howard, C. A., J. C. Wasse, et al. (2007). "The solvation structure of fulleride C-60(5-) anions in potassium ammonia solution." Journal of Physical Chemistry C 111(15): 5640-5647.

Hu, X. L. and A. Michaelides (2007). "Ice formation on kaolinite: Lattice match or amphoterism?" Surface Science 601(23): 5378-5381.

Iqbal, Z., R. McKendry, et al. (2007). "Electrochemical modulation of sickle cell haemoglobin polymerisation." Analyst 132(1): 27-33.

Jaramillo, R., T. F. Rosenbaum, et al. (2007). "Microscopic and macroscopic signatures of antiferromagnetic domain walls." Physical Review Letters 98(11).

Joshi, T., Q. A. Pankhurst, et al. (2007). "Magnetic nanoparticles for detecting cancer spread." Breast Cancer Research and Treatment 106: S129-S129.

Keenan, S., E. J. Romans, et al. (2007). "HTS SQUID NDE of curved surfaces using background field cancellation techniques." Ieee Transactions on Applied Superconductivity 17(2): 784-787.

Li, B., A. Michaelides, et al. (2007). "Density functional theory study of flat and stepped NaCl(001)." Physical Review B 76(7).

Li, F. M., A. Nathan, et al. (2007). "Organic thin-film transistor integration using silicon nitride gate dielectric." Applied Physics Letters 90(13).

Li, W. X., R. Minev, et al. (2007). "Patterning of amorphous and polycrystalline Ni78B14Si8 with a focused-ion-beam." Applied Surface Science 253(12): 5404-5410.

Li, W. X. and P. A. Warburton (2007). "Low-current focused-ion-beam induced deposition of three-dimensional tungsten nanoscale conductors." Nanotechnology 18(48).

Li, W. X., J. Zhang, et al. (2007). "Magnetic circular dichroism in Co1-xPtx nanowire bundles at the Co L-2,L-3 edges." Applied Physics Letters 91(13).

Limb, A. J., O. Bikondoa, et al. (2007). "Visualization of complex-anion site conversion on a metal oxide surface." Angewandte Chemie-International Edition 46(4): 549-552.

Lin, H. C. and A. J. Fisher (2007). "Configuration-space location of the entanglement between two subsystems." Physical Review A 75(3).

Lipscombe, O. J., S. M. Hayden, et al. (2007). "Persistence of high-frequency spin fluctuations in overdoped superconducting La2-xSrxCuO4 (x=0.22)." Physical Review Letters 99(6).

Liu, H. J., J. H. Guo, et al. (2007). "Electronic structure of cobalt nanocrystals suspended in liquid." Nano Letters 7(7): 1919-1922.

Loviat, F., H. M. Ronnow, et al. (2007). "The surface layer of cleaved bilayer manganites." Nanotechnology 18(4).

Mannix, D., D. F. McMorrow, et al. (2007). "X-ray scattering study of the order parameters in multiferroic TbMnO3." Physical Review B 76(18).

McEniry, E. J., D. R. Bowler, et al. (2007). "Dynamical simulation of inelastic quantum transport." Journal of Physics-Condensed Matter 19(19).

McKenna, K. P. and G. J. Morgan (2007). "Quantum simulations of spin-relaxation and transport in copper." European Physical Journal B 59(4): 451-456.

McKenna, K. P., P. V. Sushko, et al. (2007). "Dynamics of low-coordinated surface atoms on gold nanocrystallites." Journal of Chemical Physics 126(15).

McKenna, K. P., P. V. Sushko, et al. (2007). "Inside powders: A theoretical model of interfaces between MgO nanocrystallites." Journal of the American Chemical Society 129(27): 8600-8608.

McKenna, K. P., P. V. Sushko, et al. (2007). "Transient atomic configurations of supported gold nanocrystallites at finite temperature." Journal of Physical Chemistry C 111(7): 2823-2826.

McLachlan, M. A., D. W. McComb, et al. (2007). "Template directed synthesis of nanostructured phthalocyanine thin films." Journal of Materials Chemistry 17(36): 3773-3776.

Mesquida, P., C. K. Riener, et al. (2007). "Morphology and mechanical stability of amyloid-like peptide fibrils." Journal of Materials Science-Materials in Medicine 18(7): 1325-1331.

Michaelides, A. (2007). "Simulating ice nucleation, one molecule at a time, with the 'DFT microseope'." Faraday Discussions 136: 287-297.

Michaelides, A. (2007). "The unhappy marriage of transition and noble metal atoms: A new way to enhance catalytic activity? (A perspective on: "When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces" by O.R. Inderwildi, S.J. Jenkins, D.A. King)." Surface Science 601(17): 3529-3531.

Michaelides, A. and K. Morgenstern (2007). "Ice nanoclusters at hydrophobic metal surfaces." Nature Materials 6(8): 597-601.

Miyazaki, T., D. R. Bowler, et al. (2007). "Density functional calculations of Ge(105): Local basis sets and O(N) methods." Physical Review B 76(11).

Muller, M., S. Stankic, et al. (2007). "Effect of protons on the optical properties of oxide nanostructures." Journal of the American Chemical Society 129(41): 12491-12496.

Newton, M. C. and P. A. Warburton (2007). "ZnO tetrapod nanocrystals." Materials Today 10(5): 50-54.

Orendac, M., J. Hanko, et al. (2007). "Magnetocaloric study of spin relaxation in dipolar spin ice Dy2Ti2O7." Physical Review B 75(10).

Paleari, A., F. Meinardi, et al. (2007). "High-energy shift of the Urbach ultraviolet absorption from attenuated dynamical disorder in fluorine modified sol-gel silica." Applied Physics Letters 91(14).

Papageorgiou, A. C., G. Cabailh, et al. (2007). "Growth and reactivity of titanium oxide ultrathin films on Ni(110)." Journal of Physical Chemistry C 111(21): 7704-7710.

Papageorgiou, A. C., C. L. Pang, et al. (2007). "Low-dimensional, reduced phases of ultrathin TiO2." Acs Nano 1(5): 409-414.

Pelling, A. E., D. W. Dawson, et al. (2007). "Distinct contributions of microtubule subtypes to cell membrane shape and stability." Nanomedicine-Nanotechnology Biology and Medicine 3(1): 43-52.

Pelling, A. E., F. S. Veraitch, et al. (2007). "Mapping correlated membrane pulsations and fluctuations in human cells." Journal of Molecular Recognition 20(6): 467-475.

Ramo, D. M., J. L. Gavartin, et al. (2007). "Intrinsic and defect-assisted trapping of electrons and holes in HfO2: an ab initio study." Microelectronic Engineering 84(9-10): 2362-2365.

Ramo, D. M., J. L. Gavartin, et al. (2007). "Spectroscopic properties of oxygen vacancies in monoclinic HfO2 calculated with periodic and embedded cluster density functional theory." Physical Review B 75(20).

Ramo, D. M., A. L. Shluger, et al. (2007). "Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO2." Physical Review Letters 99(15).

Ritco-Vonsovici, M., A. Ababou, et al. (2007). "Molecular plasticity of beta-catenin: New insights from single-molecule measurements and MD simulation." Protein Science 16(9): 1984-1998.

Ronnow, H. M., J. Jensen, et al. (2007). "Magnetic excitations near the quantum phase transition in the Ising ferromagnet LiHoF4." Physical Review B 75(5).

Ruegg, C., D. F. McMorrow, et al. (2007). "Multiple magnon modes and consequences for the Bose-Einstein condensed phase in BaCuSi2O6." Physical Review Letters 98(1).

Rutherford, A. M. and D. M. Duffy (2007). "The effect of electron-ion interactions on radiation damage simulations." Journal of Physics-Condensed Matter 19(49).

Sanchez, D., U. Arand, et al. (2007). "Localized and non-contact mechanical stimulation of dorsal root ganglion sensory neurons using scanning ion conductance microscopy." Journal of Neuroscience Methods 159(1): 26-34.

Sardone, L., C. Sabatini, et al. (2007). "Scanning force microscopy and optical spectroscopy of phase-segregated thin films of poly(9,9 '-dioctylfluorene-alt-benzothiadiazole) and poly(ethylene oxide)." Journal of Materials Chemistry 17(14): 1387-1391.

Sardone, L., C. C. Williams, et al. (2007). "Phase segregation in thin films of conjugated polyrotaxane-poly(ethylene oxide) blends: A scanning force microscopy study." Advanced Functional Materials 17(6): 927-932.

Schlapak, R., D. Armitage, et al. (2007). "Preparation and characterization of dense films of poly(amidoamine) dendrimers on indium tin oxide." Langmuir 23(17): 8916-8924.

Schoiswohl, J., M. Sock, et al. (2007). "Metal supported oxide nanostructures: model systems for advanced catalysis." Topics in Catalysis 46(1-2): 137-149.

Shluger, A. and T. Trevethan (2007). "Microscopy - Atomic fingerprinting." Nature 446(7131): 34-35.

Shpyrko, O. G., E. D. Isaacs, et al. (2007). "Direct measurement of antiferromagnetic domain fluctuations." Nature 447(7140): 68-71.

Silevitch, D. M., D. Bitko, et al. (2007). "A ferromagnet in a continuously tunable random field." Nature 448(7153): 567-570.

Silevitch, D. M., C. M. S. Gannarelli, et al. (2007). "Quantum projection in an ising spin liquid." Physical Review Letters 99(5).

Solomonov, I., M. Osipova, et al. (2007). "Crystal nucleation, growth, and morphology of the synthetic malaria pigment beta-hematin and the effect thereon by quinoline additives: The malaria pigment as a target of various antimalarial drugs." Journal of the American Chemical Society 129(9): 2615-2627.

Stadler, L. M., R. Harder, et al. (2007). "Coherent x-ray diffraction imaging of grown-in antiphase boundaries in Fe65Al35." Physical Review B 76(1).

Stella, L., M. Meister, et al. (2007). "Robust nonadiabatic molecular dynamics for metals and insulators." Journal of Chemical Physics 127(21).

Stoneham, A. M. (2007). Thinking about diamond. Diamond Electronics - Fundamentals to Applications. P. Bergonzo, R. Gat, R. B. Jackman and C. E. Nebel. 956: 1-10.

Stoneham, A. M., J. Gavartin, et al. (2007). "Trapping, self-trapping and the polaron family." Journal of Physics-Condensed Matter 19(25).

Stoneham, A. M. and J. L. Gavartin (2007). "Dynamics at the nanoscale." Materials Science & Engineering C-Biomimetic and Supramolecular Systems 27(5-8): 972-980.

Stoneham, M. (2007). "How soft materials control harder ones: routes to bioorganization." Reports on Progress in Physics 70(7): 1055-1097.

Stoneham, M., J. Gavartin, et al. (2007). "The vulnerable nanoscale dielectric." Physica Status Solidi a-Applications and Materials Science 204(3): 653-662.

Sullivan, P., T. S. Jones, et al. (2007). "Structural templating as a route to improved photovoltaic performance in copper phthalocyanine/fullerene (C-60) heterojunctions." Applied Physics Letters 91(23).

Teng, C. L. and M. P. Ryan (2007). "A morphological study of nanocrystalline magnetite electrodeposited onto polycrystalline copper substrates." Electrochemical and Solid State Letters 10(10): D108-D112.

Teobaldi, G., W. A. Hofer, et al. (2007). "Modelling STM images of TiO2(110) from first-principles: Defects, water adsorption and dissociation products." Chemical Physics Letters 437(1-3): 73-78.

Thornton, G. (2007). "COLL 315-Exchange reactions in lipid vesicle-polyelectrolyte system." Abstracts of Papers of the American Chemical Society 233: 450-COLL.

Upton, M. H., A. C. Walters, et al. (2007). "Phonons in superconducting CaC6 studied via inelastic x-ray scattering." Physical Review B 76(22).

Vartanyants, I. A., I. K. Robinson, et al. (2007). "Coherent x-ray scattering and lensless imaging at the european XFEL facility." Journal of Synchrotron Radiation 14: 453-470.

Verde, A. V., M. M. D. Ramos, et al. (2007). "The role of mesoscopic modelling in understanding the response of dental enamel to mid-infrared radiation." Physics in Medicine and Biology 52(10): 2703-2717.

Vignolle, B., S. M. Hayden, et al. (2007). "Two energy scales in the spin excitations of the high-temperature superconductor La2-xSrxCuO4." Nature Physics 3(3): 163-167.

Vygranenko, Y., K. Wang, et al. (2007). "Stable indium oxide thin-film transistors with fast threshold voltage recovery." Applied Physics Letters 91(26).

Walker, H. C., K. A. McEwen, et al. (2007). "Magnetic and electrical properties of dhcp NpPd3 and (U1-xNpx)Pd-3." Physical Review B 76(17).

Wang, H., W. R. Branford, et al. (2007). "Preparation of ferromagnetic cobalt substituted TiO2 (Anatase) thin films by electrochemical deposition." Chemistry of Materials 19(13): 3084-3086.

Wang, K., Y. Vygranenko, et al. (2007). "Optically transparent ZnO-based n-i-p ultraviolet photodetectors." Thin Solid Films 515(17): 6981-6985.

Wang, K., Y. Vygranenko, et al. (2007). "ZnO-based p-i-n and n-i-p heterostructure ultraviolet sensors: a comparative study." Journal of Applied Physics 101(11).

Warburton, P. A. (2007). "Coexistence of linear and non-linear dissipative branches in the current-voltage characteristics of intrinsic Josephson junction arrays." Superconductor Science & Technology 20(2): S14-S17.

Watari, M., J. Galbraith, et al. (2007). "Investigating the molecular mechanisms of in-plane mechanochemistry on cantilever arrays." Journal of the American Chemical Society 129(3): 601-609.

Wenger, M. P. E., L. Bozec, et al. (2007). "Mechanical properties of collagen fibrils." Biophysical Journal 93(4): 1255-1263.

Xie, X., X. R. Nie, et al. (2007). "Rapid enrichment of leucocytes and genomic DNA from blood based on bifunctional core-shell magnetic nanoparticles." Journal of Magnetism and Magnetic Materials 311(1): 416-420.

Xu, G. Y., C. Broholm, et al. (2007). "Mesoscopic phase coherence in a quantum spin fluid." Science 317(5841): 1049-1052.

Ye, H., N. Tumilty, et al. (2007). Device simulation and design optimization for diamond based insulated-gate bipolar transistors. Diamond Electronics - Fundamentals to Applications. P. Bergonzo, R. Gat, R. B. Jackman and C. E. Nebel. 956: 275-280.

Yu, J. J. and I. W. Boyd (2007). "UV detection for excimer lamps using CVD diamond in various gaseous atmospheres." Diamond and Related Materials 16(3): 494-497.

Zhang, W. and I. K. Robinson (2007). "Grazing exit small angle X-ray scattering on grain formation in polycrystalline metal films." Zeitschrift Fur Kristallographie 222(11): 601-604.

Zhu, L. Q., L. D. Zhang, et al. (2007). "X-ray photoelectron spectroscopy study of ZrO2/TiO2/Si stack." Applied Physics Letters 91(17).