Pubs 2007 - Theory of Condensed Matter

TCM PUBLICATIONS 2007
J.M. ADAMS, Y. MAO and W.L. VANDOOLAEGHE “Stress relaxation in plymer
networks: Equilibrium behaviour and dynamics” J. Chem. Phys. 127, 114907 (2007).
S.E. AHNERT, D. GARLASCHELLI, T.M.A. FINK and G. CALDARELLI “An
ensemble approach to the analysis of weighted networks” Phys. Rev. E 76, 016101
(2007).
A. BADINSKI and R.J. NEEDS “Accurate forces in Quantum Monte Carlo calculations
with nonlocal pseudopotentials” Phys. Rev. E 76, 036707 (2007).
M.D. BROWN, J.R. TRAIL, P. LOPEZ RIOS and R.J. NEEDS “Energies of the first row
atoms from quantum Monte Carlo” J. Chem Phys 126, 22 (2007).
P. CHANDRA and P.B. LITTLEWOOD “A Landau Primer for Ferroelectrics” Phys. Of
Ferroelectrics, Springer Topics in Applied Physics 105, 69 (2007).
E. CLAYTON, D.P. DOUPE, A.M. KLEIN, D.J. WINTON, B.D. SIMONS and P.H.
JONES “A single type of progenitor cell maintains normal epidermis” Nature 446,
185 (2007).
D.J. COLE, G. CSÁNYI, M.C. PAYNE, S.M. SPEARING and L. COLOMBI CIACCHI
“Development of a classical force field for the oxidised Si surface: Application to
hydrophilic wafer bonding” J. Chem. Phys. 127, 204704 (2007).
D.J. COLE, M.C. PAYNE and L. COLOMBI CIACCHI “Stress development and
impurity segregation during oxidation of the Si(100) surface” Surface Science 601,
4888 (2007).
N.R. COOPER and E.H. REZAYI “Competing compressible and incompressible phases
in rotating atomic Bose gases at filling factor v=2” Phys. Rev. A 75, 013627 (2007).
D. CORBETT AND M. WARNER “Linear and Nonlinear Photoinduced Deformations of
Cantilevers” Phys. Rev. Letters 99, 174302 (2007).
S. COX, J.C. LASHLEY, E. ROSTEN, J. SINGLETON, A.J. WILLIAMS and P.B.
LITTLEWOOD, “Evidence for the charge-density-wave nature of the stripe phase in
manganites” J. Phys Condens. Matter 19, 192201 (2007).
G. CSANYI, C.J. PICKARD, B.D. SIMONS and R.J. NEEDS “Graphite intercalation
compounds under pressure: A first-principles density functional theory study” Phys.
Rev. B 75, 085432 (2007).
G. CSANYI, G. MORAS, J.R. KERMODE, M.C. PAYNE, A. MAINWOOD and A DE
VITA “ Multiscale modeling of defects in semiconductors: A novel moleculardymanics
scheme” Topics in Applied Physics 104, 193-212 (2007).
N.D. DRUMMOND and R.J. NEEDS “Van der Waals interactions between thin metallic
wires and layers” Phys. Rev. Letters 99, 166401 (2007).
PUBS 2007
28/07/09

N.D. DRUMMOND “Nanomaterials:Diamondoids display their potential” Nature
Nanotechnology 2, 462 (2007).
N.D. DRUMMOND, A.J. WILLIAMSON, R.J. NEEDS and G. GALLI “DMC study of
the optoelectronic properties of diamondoids” Materials Research Soc. Sump. Proc.
958, 0958-L09-04 (2007).
F. GIUSTINO, J.R. YATES, I SOUZA, M.L. COHEN and S.G. LOUIE “Electron-
Phonon Interaction via Electronic and Lattice Wannier functions: Superconductivity
in Boron-Doped Diamond Reexamined” Phys. Rev. Letters 98, 047005 (2007).
S. GOSWAMI, K.A. SLINKER, M.FRIESEN, L.M. MCGUIRE, J.L. TRUITT, C.
TAHAN, L.J. KLEIN, J.O. CHU, P.M. MOONEY, D.W. VAN DER WEIDE, R.
JOYNT, S.M. COPPERSMITH and M.A. ERIKSSON “ Controllable valley splitting
in silicon quantum devices” Nature Physics 3(1) 41-45 (2007).
E. GROSFELD, N.R. COOPER, A. STERN and R. ILAN “Preicted signatures of p-wave
superfluid phases and Majorana zero modes of fermionic atoms in RF absorption”
Phys. Rev. B 76, (2007).
I.G. GURTUBAY and R.J. NEEDS “Dissociation energy of the water dimer from
Quantum Monte Carlo calculations” J. Chem. Phys 127, 124306 (2007).
R.K. HARRIS, S. CADARS, L. EMSLEY, J.R. YATES, C.J. PICKARD, R.K.R. JETTI
and U.J. GRIESSER “NMR crystallography of oxybuprocaine hydrochloride,
Modification II degrees” Phys. Chemistry Chem. Phys. 9, 360-368 (2007).
R.K. HARRIS, P. HODGKINSON, C.J. PICKARD, V. ZORIN and J.R. YATES
“Chemical shift computations on a Crystallographic Basis: Some Reflections and
Comments” Magn. Reson. Chem 45, S174 (2007).
S. HEUSLER, S. MÜLLER, A. ALTLAND, P. BRAUN and F. HAAKE “Periodic-Orbit
Theory of Level Correlations” Phys. Rev. Letters 987, 044103 (2007).
M. HOHENADLER AND H. FEHSKE, “Bipolaron formation in 1D-3D quantum dots: A
lattice quantum Monte Carlo approach”, J.Phys.: Condens. Matter 19, 255210 (2007).
M. HOHENADLER, G. HAGER, G. WELLEIN and H.FEHSKE, “Carrier-density
effects in many-polaron system”, J. Phys.: Condens. Matter 19 No 255202 (2007).
M. HOHENADLER and P.B. LITTLEWOOD, “Quantum Monte Carlo results for
bipolaron stability in quantum dots” Phys. Rev. B 76, 155122 (2007).
M. HOHENADLER, P.B. LITTLEWOOD and H. FEHSKE “Lattice exciton-polaron
problem by quantum Monte Carlo simulations” Phys Rev B 76, 184303 (2007).
L.E. HUESO, J.M. PRUNEDA, V. FERRARI, G. BURNELL, J.P. VALDES-
HERRERA, B.D. SIMONS, P.B. LITTLEWOOD, E. ARTACHO, A. FERT, and
N.D. MATHUR “Transofrmation of spin information into large electrical signals
using carbon nanotubes” Nature 445 410-413 (2007).
PUBS 2007
28/07/09

S.A. JOYCE, J.R. YATES, C.J. PICKARD and F. MAURI “A First Principles Theory of
Nuclear Magnetic Resonance J-Coupling in solid-state systems” J. Chem. Phys. 127,
204107 (2007).
J. KEELING, F.M. MARCHETTI, M.H. SZYMANSKA and P.B. LITTLEWOOD
“Collective coherence in planar semiconductor microcavities” Semiconductor
Science and Technology 22, R1-26 (2007).
A.M. KLEIN, D.P. DOUPE, P.H. JONES and B.D. SIMONS “Kinetics of cell division in
epidermal maintenance” Phys. Rev. E 76, 021910 (2007).
S. KOMINEAS and N.R. COOPER “Vortex lattices in Bose-Einstein condensates with
dipolar interactions beyond the weak-interaction limit” Phys. Rev. A 75, 013627
(2007).
H. KUREBAYASHI, S. J. STEINMULLER, J. B. LALO , T. TRYPINIOTIS, S.
EASTON, A. IONESCU, J. R. YATES and J. A. C. BLAND “Initial/final state
selection of the spin polarization in electron tunnelling across an epitaxial Fe/GaAs
(001) interface” Applied Phys. Letters 91, 102114 (2007).
J. LEVINSEN, N.R. COOPER and V. GURARIE “Strongly-resonant p-wave
superfluids” Phys. Rev. Letters 99, 210402 (2007).
P.B. LITTLEWOOD “Condensates made of light” Science 316 989 (2007).
P.B. LITTLEWOOD, F.M. MARCHETTI and M.H. SZYMANSKA “Optical coherence
and collective phenomena in nanostructures” J. Phys. Cond. Matter 19, 290301
(2007).
J. LOOS, M. HOHENADLER, A. ALVERMAN and H. FEHSKE “Optical conductivity
of polaronic charge carriers” J. Phys, Condens. Matter 19, 236233 (2007).
R. MAEZONO, A. MA, M.D. TOWLER and R.J. NEEDS “Equation of state and raman
frequency of diamond from quantum Monte Carlo simulations” Phys. Rev. Letters 98,
025701 (2007).
R. MAEZONO, H. WATANABE, S. TANAKA, M.D. TOWLER and R.J. NEEDS
“Fragmentation method combined with quantum Monte Carlo calculations” J. Phys.
Soc. Japan 76, 064301 (2007).
F.M. MARCHETTI, J. KEELING, M.H. SZYMANSKA and P.B. LITTLEWOOD
“Absorption, photoluminescence, and resonant Rayleigh scattering probes of
condensed microcavity plaritons” Phys. Rev. B 76, 115326 (2007).
G. MOLLER and N.R. COOPER “Density waves and supersolidity in rapidly rotating
atomic Fermi gases” Phys. Rev. Letters 99, 190409 (2007).
A.A. MOSTOFI, P.D. HAYNES, C.K. SKYLARIS and M.C. PAYNE “ONETEP: linearscaling
density-functional theory with plane-waves” Molecular Simulations 33, 551
(2007).
PUBS 2007
28/07/09

S. MÜLLER, S. HEUSLER, P. BRAUN and F. HAAKE “Semiclassical Approach to
Chaotic Quantum Transport” New J. Phys. 9, (2007).
T. NAGAO, P. BRAUN, S. MÜLLER, K. SAITO, S. HEUSLER and F. HAAKE
“Semiclassical Theory of Parametric Correlation of Energy Levels” J. Phys. A: Math.
Theor. 40, 47 (2007).
R. NEEDS “Quantum Monte Carlo techniques and defects in semiconductors” Topics in
Applied Physics 104, 141-164 (2007).
C.P. OPEIL, R.K. SCHULZE, H.M. VOLZ, J.C. LASHLEY, M.E. MANLEY, W.L.
HULTS, R.J. HANRAHAN, J.L. SMITH, B. MIHAILA, K.B. BLAGOEV, R.C.
ALBERS and P.B. LITTLEWOOD “Angle-resolved photoemission and firstprinciples
electronic structure of single-crystalline alpha-U(001)” Phys. Rev. B 75
045120 (2007).
M.M. PARISH, F.M. MARCHETTI, A. LAMACRAFT and B.D. SIMONS “Finitetemperature
phase diagram of a polarized Fermi condensate” Nature Physics 3(2),
124-128 (2007).
C.J. PICKARD and R.J. NEEDS “When is H 2 O not water?” J. Chem. Phys. 127, 244503
(2007).
C.J. PICKARD and R.J. NEEDS “Metallization of aluminum hydride at high pressures:
A first-principles study” Phys. Rev. B 76, 144114 (2007).
C.J. PICKARD and R.J. NEEDS “Structure of phase III of hydrogen” nature Physics 3,
473 (2007).
J.M. PRUNEDA, V. FERRARI, R. RURALI, P.B. LITTLEWOOD, N.A. SPALDIN and
E. ARTACHO “Ferrodistortive instability at the (001) surface of half-metallic
manganites” Phys. Rev. Letters 99, 226101 (2007).
L. SHAO, J.R. YATES and J. TITMAN “Carbon-13 Chemical shift tensors of
disaccharides: measurement, computation and assignment” J. Phys. Chem A 111,
13126 (2007).
S.H. SIMON, E.H. REZAYI, N.R. COOPER and I BERDNIKOV “Construction of a
paired wave function for spinless electrons at filling fraction nu=2/5” Phys. Rev. B
75, 075317 (2007).
S.H. SIMON, E.H. REZAYI and N.R. COOPER “Pseudopotentials for Multi-particle
Interactions in the Quantum Hall Regime” Phys. Rev. B 75, 195306 (2007).
S.H. SIMON, E.H. REZAYI and N.R. COOPER “Generalized quantum Hall projection
Hamiltonians” Phys. Rev. B 75, 075318 (2007).
S.H. SIMON, E.H. REZAYI and N.R. COOPER “Construction of a paired wave function
for spinless electrons at filling fraction nu=2.5” Phys. Rev. B 75, 075317 (2007).
PUBS 2007
28/07/09

M.H. SZYMANSKA, J. KEELING and P.B. LITTLEWOOD “Mean field theory and
fluctuation spectrum of a pumped, decaying Bose-Fermi system across the quantum
condensation transition” Phys. Rev. B 76 195331 (2007).
M.H. SZYMANSKA, F.M. MARCHETTI, J. KEELING and P.B. LITTLEWOOD
“Coherence properties and luminescence spectra of condensed polaritons in CdTe
microcavities” Solid State Commun. 144, 364 (2007).
W.L. VANDOOLAEGHE and E.M. TERENTJEV “A rouse-tube model of dynamic
rubber viscoelasticity” J. Phys. A: Math and Theo. 40, 14725 (2007).
C.-C. WANG, C.-T. LIANG, Y.-T. JIAN, Y.F. CHEN, N.R. COOPER, M.Y. SIMMONS
and D.A. RITCHIE “Huge positive magnetoresistance of FaAs/AlFaAs high electron
mobility transistor structures at high temperatures” Applied Phys. Letters 90, 190409
(2007).
X. WANG, D VANDERBILT, J.R. YATES and I SOUZA “ Fermi-surface calculation of
the anomalous Hall conductivity” Phys. Rev. B 76, 195109 (2007).
M. WARNER and E.M. TERENTJEV “Liquid Crystal Elastomers” Oxford University
Press paperback (revised) edition (2007).
J.R. YATES, C.J. PICKARD and F. MAURI “Calculation of NMR Chemical Shifts for
extended systems using Ultrasoft Pseudopotentials” Phys. Rev. B 76, 024401 (2007).
J. R. YATES, X. WANG, D. VANDERBITL and I SOUZA “spectral and Fermic surface
properties from Wannier interpolation” Phys. Rev. B 75, (2007).
PUBS 2007
28/07/09