- Roadmap on Photovoltaic Absorber Materials for Sustainable Energy Conversion
J. C. Blakesley et al. - Cu-Zn Cation Disorder in Kesterite Cu2ZnSn(SxSe1-x)4 Solar Cells: A First-principles Study
A-Y. Zhu, R-X. Ding, H-T. Xu, C-J. Tong and K. P. McKenna
ACS Energy Letters 9, 497 (2024)
link to text - Grain boundary structural relaxation in Sb2Se3 thin-film photovoltaics
R. A. Lomas-Zapata, K. P. McKenna, Q. M. Ramasse, R. E. Williams, L. J. Phillips, K. Durose, J. D. Major and B. G. Mendis
Physical Review X Energy 3, 013006 (2024)
link to text - Thermodynamic properties and switching dynamics of perpendicular shape anisotropy MRAM
W. Lack, S. Jenkins A. Meo, R. W. Chantrell, K. P. McKenna and R. F. L. Evans
Journal of Physics: Condensed Matter 36, 145801 (2024)
link to text - Grain boundaries in polycrystalline materials for energy applications: first principles modeling and electron microscopy
J. Quirk, M. Rothmann, W. Li, D. Abou-Ras and K. P. McKenna
Applied Physics Reviews 11, 011308 (2024)
link to text - Ultraviolet-ozone treatment: an effective method for fine-tuning optical and electrical properties of suspended and substrate-supported MoS2
F. Sarcan, A. Armstrong, Y. K. Bostan, E. Kus, K. P. McKenna, A. Erol and Y. Wang
Nanomaterials 13, 3034 (2023)
link to text - Post-Synthetic Silver Ion and Sulfurization Treatment for Enhanced Performance in Sb2Se3 Water Splitting Photocathodes
P. Adams, R. Schnyder, T. Moehl, J. Bühler, A. L. Alvarez, M. Dimitrievska, K. McKenna, W. Yang and S. David Tilley
Advanced Functional Materials 2310596 (2023)
link to text - Directional dependence of band gap modulation via uniaxial strain in MoS2 and TiS3
A. Armstrong, K. P. McKenna and Y. Wang
Nanotechnolgy 35, 015704 (2023)
link to text - Atomistic understanding of the coherent interface between metal halide perovskite and lead iodide
M. U. Rothmann, K. B. Lohmann , J. Borchert, M. B. Johnston, K. P. McKenna, L. M. Herz and P. D. Nellist
Advanced Materials Interfaces 2300249 (2023)
link to text - On the Importance of Nanoparticle Necks and Carbon Impurities for Charge Trapping in TiO2
M. Elser, E. Neige, T. Berger, M. Chiesa, E. Giamello, K. P. McKenna, T. Risse and O. Diwald
Journal of Physical Chemistry C 127, 8778 (2023)
link to text - Small-Polaron Mediated Recombination in Titanium Dioxide from First Principles
J. A. Quirk and K. P. McKenna
Physical Review Research 5, 023072 (2023)
link to text - Heterogeneity of Grain Boundary Properties in Cu2ZnSnS4: A First-Principles Study
N-J. Hao, R-X. Ding, C-J. Tong and K. P. McKenna
Journal of Applied Physics 133, 145002 (2023)
link to text - Predictive removal of interfacial defect-induced trap states between titanium dioxide nanoparticles via sub-monolayer doping with zirconium(IV)
J. Debgupta, L. Lari, M. Isaacs, J. Carey, K. P. McKenna, V. K. Lazarov, V. Chechik and R. E. Douthwaite
Journal of Physical Chemistry C 127, 660 (2023)
link to text - Structure and Electronic Properties of Domain Walls and Stacking Fault Defects in Prospective Photoferroic Materials Bournonite and Enargite
O. M. Rigby, T. Richards-Hlabangana, Q. M. Ramasse, I. MacLaren, R. A. Lomas-Zapata, M. S. Rumsey, K. P. McKenna and B. G. Mendis
Journal of Applied Physics 132, 185001 (2022)
link to text - Controlling the formation of conductive pathways in memristive devices
R. Eilhardt, A. Zintler, S. Petzold, E. Piros, K. P. McKenna, L. Molina-Luna and L. Alff
Advanced Science 9, 2201806 (2022)
link to text - Nano-Faceted Growth of Polar-Oxide Thin Films: The Case of MgO(111) and NiO(111) Surfaces
A. Kerrigan, K. Pande, D. Pingstone, S. Cavill, M. Gajdardziska-Josifovska K. P. McKenna M. Weinert and V. Lazarov
Applied Surface Science 596, 153490 (2022)
link to text - Comparing five and lower-dimensional grain boundary character and energy distributions in copper: experiment and molecular statics simulation
V. Korolev, J. Bean, Y. Nevolin, Y. Kucherinenko, K. McKenna and P. Protsenko
Metallurgical and Materials Transactions A 53, 449 (2022)
link to text - Rubbing Powders: Direct Spectroscopic Observation of Tribo-Induced Oxygen Radical Formation in MgO Nanocube Ensembles, T. Schwab, D. Thomele, K. Aicher, J. Dunlop, K. P. McKenna and O. Diwald
Journal of Physical Chemistry C 125, 22239 (2021)
link to text - Atomistic Modeling of Oxide Nanoparticles
K. P. McKenna
Book chapter in: "Metal Oxide Nanoparticles: Formation, Functional Properties, and Interfaces, 2 Volume Set", Eds. O. Diwald, T. Berger, Wiley (2021)
link to text - Unveiling the Electronic Structure of Grain Boundaries in Anatase with Electron Microscopy and First-Principles Modelling
J. A. Quirk, B. Miao, B. Feng, G. Kim, H. Ohta, Y. Ikuhara and K. P. McKenna
Nano Letters 21, 9217 (2021)
link to text - Hole polaron migration in bulk phases of TiO2 using hybrid density functional theory
J. J. Carey, J. A. Quirk and K. P. McKenna
Journal of Physical Chemistry C 125, 12441 (2021)
link to text - Localized anatase grain boundary phase embedded in rutile titanium dioxide
G. Schusteritsch, R. Ishikawa, A. R. Elmaslmane, K. Inoue, K. P. McKenna, Y. Ikuhara and C. J. Pickard
Nano Letters 21, 2745 (2021)
link to text - Self-healing of broken bonds and deep gap states in Sb2Se3 and Sb2S3
K. P. McKenna
Advanced Electronic Materials 7, 2000908 (2021)
link to text - Density Functional Theory and Experimental Determination of Band Gaps and lattice parameters in Kesterite Cu2ZnSn(SxSe1-x)4
C. Tong, H. Edwards, T. Hobson, K. Durose, V. R. Dhanak, J. Major and K. P. McKenna
Journal of Physical Chemistry Letters 11, 10463 (2020)
link to text - First-Principles Modelling of Oxygen-Deficient Anatase TiO2 Nanoparticles
J. Quirk, V. Lazarov and K. P. McKenna
Journal of Physical Chemistry C 124, 23637 (2020)
link to text - Evidence for self-healing benign grain boundaries and a highly defective Sb2Se3-CdS interfacial layer in Sb2Se3 thin-film photovoltaics
R. E. Williams, Q. M. Ramasse, K. P. McKenna, L. J. Phillips, P. J. Yates, O. S. Hutter, K. Durose, J. D. Major and B. G. Mendis
ACS Applied Materials & Interfaces 12, 21730 (2020)
link to text - Electronic Properties of 112 and 110 Twin Boundaries in Anatase TiO2
J. Quirk, V. Lazarov and K. P. McKenna
Advanced Theory and Simulations 2, 1900157 (2019)
link to text - Passivating Grain Boundaries in Polycrystalline CdTe
C. Tong and K. P. McKenna
Journal of Physical Chemistry C 123, 23882 (2019)
link to text - Screening Doping Strategies to Mitigate Electron Trapping at Anatase TiO2 Surfaces
J. J. Carey and K. P. McKenna
Journal of Physical Chemistry C 123, 22358 (2019)
link to text - First principles investigation of the structure and properties of Au nanoparticles supported on ZnO
S-H. Hung and K. P. McKenna
Journal of Physical Chemistry C 123, 21185 (2019)
link to text - First principles investigation of Y2O3-doped HfO2
A. C. M. Padilha and K. P. McKenna
Journal of Applied Physics 126, 084105 (2019)
link to text - Forming-Free Grain Boundary Engineered Hafnium Oxide Resistive Random Access Memory Devices
S. Petzold, A. Zintler, R. Eilhardt, E. Piros, N. Kaiser, S. U. Sharath, T. Vogel, M. Major, K. P. McKenna, L. Molina-Luna, and L. Alff
Advanced Electronic Materials 1900484 (2019)
link to text - Antiphase Boundaries in Truncated Octahedron-shaped Zn-doped Magnetite Nanocrystals
N. Fontaina-Troitino, M. Ramos-Docampo, M. Testa Anta, B. Rodríguez-González, M. Bañobre-López, L. Bocher, K. P. McKenna and V. Salgueiriño
Journal of Materials Chemistry C 6, 12800 (2018)
link to text - Stability of point defects near MgO grain boundaries in FeCoB/MgO/FeCoB magnetic tunnel junctions
J. J. Bean and K. P. McKenna
Physical Review Materials 2, 125002 (2018)
link to text - Does Polaronic Self-Trapping Occur at Anatase TiO2 Surfaces?
J. Carey and K. P. McKenna
Journal of Physical Chemistry C 122, 27540 (2018)
link to text - Determination of the structure and properties of an edge dislocation in rutile TiO2
E. Maras, M. Saito, K. Inoue, H. Jónsson, Y. Ikuhara and K. P. McKenna
Acta Materialia 163, 199(2018)
link to text - Electronic properties of {111} twin boundaries in a mixed-ion lead halide perovskite solar absorber
K. P. McKenna
ACS Energy Letters 3, 2663 (2018)
link to text - The impact of complex adatom-induced interactions in quantum spin Hall phases
F. José dos Santos, D. A. Bahamon, R. B. Muniz, K. P. McKenna, E. V. Castro, J. Lischner and A. Ferreira
Physical Review B Rapid Communications 98, 081407 (2018)
link to text - Exposure of Mass-Selected Bimetallic Pt-TiO2 to Oxygen explored using the Scanning Transmission Electron Microscopy and Density Functional Theory
S. Gholhaki, S-H. Hung, C. E. Blackmore, A. G. Shard, Q. Guo, K. McKenna and R. E. Palmer
RSC Advances 8, 27276 (2018)
link to text - First principles modelling of polaron formation in TiO2 polymorphs
A. R. Elmaslmane, M. B. Watkins and K. P. McKenna
Journal of Chemical Theory and Computation 14, 3740-3751 (2018)
link to text - Accuracy of electron densities obtained via Koopmans-compliant hybrid functionals
A. R. Elmaslmane, J. Wetherell, M. J. P. Hodgson, K. P. McKenna and R. W. Godby
Physical Review Materials Rapid Communications 2, 040801(R) (2018)
link to text - Structure and properties of a model conductive filament/host oxide interface in HfO2-based ReRAM
A. C. M. Padilha and K. P. McKenna
Physical Review Materials 2, 045001 (2018)
link to text - Structure, electronic properties and oxygen incorporation/diffusion characteristics of the Σ5 TiN(310) tilt grain boundary
K. P. McKenna
Journal of Applied Physics 123, 075301 (2018)
link to text - First principles investigation of titanium nanoparticle oxidation
S-H. Hung and K. P. McKenna
Journal of Physical Chemistry C 122, 3107 (2018)
link to text - Crystal structure and anti-site boundary defect characterisation in Cu2ZnSnSe4
B. Mendis, K. P. McKenna, M. Rumsey, G. Gurieva, S. Schorr
Journal of Materials Chemistry A 6, 189 (2018)
link to text - First principles prediction of the morphology of L10 FePt nanoparticles supported on Mg(Ti)O for heat-assisted magnetic recording applications
S-H. Hung and K. P. McKenna
Physical Review Materials 1, 024405 (2017)
link to text - Atomic structure and electronic properties of MgO grain boundaries in tunnelling magnetoresistive devices
J. J. Bean, M. Saito, S. Fukami, H. Sato, S. Ikeda, H. Ohno, Y. Ikuhara and K. P. McKenna
Scientific Reports 7, 45594 (2017)
link to text - Modification of charge trapping at particle/particle interfaces by electrochemical hydrogen doping of nanocrystalline TiO2
J. M. Jimenez, G. Bourret, T. Berger and K. P. McKenna
Journal of the American Chemical Society 138, 15956 (2016)
link to text - Effect of polaronic charge transfer on band alignment at the Cu/TiO2 interface
K. P. McKenna
Physical Review B 94, 155147 (2016)
link to text - Polar Spinel-Perovskite Interfaces: an atomistic study of Fe3O4(111)/SrTiO3(111) structure and functionality
D. Gilks, K. P. McKenna, K. Matsuzaki, T. Susaki, H. Hosono, L. Lari, D. Kepaptsoglou, Q. Ramasse and V. K. Lazarov
Scientific Reports 6, 29724 (2016)
link to text - Interfaces in nanocrystalline oxide materials: from powders towards ceramics
O. Diwald, K. P. McKenna and A. L. Shluger
Book chapter in "Computational Modeling of Inorganic Nanomaterials", Eds. S. T. Bromley, M. A. Zwijnenburg, CRC Press (2016)
link to text - Origin of Differences in the Excess Volume of Copper and Nickel Grain Boundaries
J. J. Bean and K. P. McKenna
Acta Materialia 110, 246 (2016)
link to text - Atomic-Scale Structure and Local Chemistry of CoFeB-MgO Magnetic Tunnel Junctions
Z-C. Wang, M. Saito, K. P. McKenna, S. Fukami, H. Sato, S. Ikeda, H. Ohno and Y. Ikuhara
Nano Letters 16, 1530 (2016)
link to text - Atomic and electronic structure of twin growth defects in magnetite
D. Gilks, Z. Nedelkoski, L. Lari, K. Matsuzaki, T. Susaki, D. Kepaptsoglou, Q. Ramasse, R. Evans, K. P. McKenna and V. Lazarov
Scientific Reports 6, 20943 (2016)
link to text - Electronic and magnetic properties of the cation vacancy defect in m-HfO2
K. P. McKenna and D. Munoz-Ramo
Physical Review B 92, 205124 (2015)
link to text - Atomic study of Fe3O4/SrTiO3 interface
D. Gilks, D.M. Kepaptsoglou, K. McKenna, L. Lari, Q.M. Ramasse, K. Matsuzaki, T. Susaki and V.K. Lazarov
Microscopy and Microanalysis 21, 1299-1300 (2015)
link to text - Relevance of non-equilibrium defect generation processes to resistive switching in TiO2
S. Abdelouahed and K. P. McKenna
Journal of Applied Physics 118, 134103 (2015)
link to text - Surface Specific Visible Light Luminescence from Composite Metal Oxide Nanocrystals
A. Sternig, J. Bernardi, K. P. McKenna and O. Diwald
Journal of Materials Science 50, 8153 (2015)
link to text - First principles modelling of electron tunneling between defects in m-HfO2
K. P. McKenna and J. Blumberger
Microelectronic Engineering 147, 325 (2015)
link to text - Facet dependent electron trapping in TiO2 nanocrystals
S. Wallace and K. P. McKenna
Journal of Physical Chemistry C 119, 1913 (2015)
link to text - Atomic scale structure and properties of highly stable antiphase boundary defects in Fe3O4
K. P. McKenna, F. Hofer, D. Gilks, V. K. Lazarov, C. Chen, Z. Wang and Y. Ikuhara
Nature Communications 5, 5740 (2014)
link to text - A STEM study of twin defects in Fe3O4(111)/YZO(111)
D. Gilks, L. Lari, K. Matsuzaki, R. Evans, K. McKenna, T. Susaki, V. K. Lazarov
Journal of Physics: Conference Series 522, 012036 (2014)
link to text - Grain Boundary Controlled Electron Mobility in Polycrystalline Titanium
Dioxide
S. Wallace and K. P. McKenna
Advanced Materials Interfaces 1, 1400078 (2014)
link to text - Polymorphism of Dislocation Core Structures at the Atomic Scale
Z-C. Wang, M. Saito, K. P. McKenna, Y. Ikuhara
Nature Communications 5, 3239 (2014)
link to text - Optimal stoichiometry for nucleation and growth of conductive filaments in HfOx
K. P. McKenna
Modelling and Simulation in Materials Science and Engineering 22, 025001 (2014)
link to text - Electronic and chemical properties of a surface terminated screw dislocation in MgO
K. P. McKenna
Journal of the American Chemical Society 135, 18859-18865 (2013)
link to text - Models of Oxygen Vacancy Defects Involved in Degradation of Gate Dielectrics
A. L. Shluger and K. P. McKenna
Reliability Physics Symposium (IRPS), 2013 IEEE International, 5A.1.1 (2013)
link to text - Structure and Electronic Properties of Polycrystalline Dielectrics
K. P. McKenna and A. L. Shluger
Electrochemical Society Transactions 54, 243 (2013)
link to text - The Behaviour of Oxygen at Metal Electrodes in HfO2 Based Resistive Switching Devices
S. Bradley, K. P. McKenna and A. L. Shluger
Microelectronic Engineering 109, 346 (2013)
link to text - Constrained Density Functional Theory Applied to Electron Tunnelling between Defects
J. Blumberger and K. P. McKenna
Physical Chemistry Chemical Physics 15, 2184-2196 (2013)
link to text - Crossover from Incoherent to Coherent Electron Tunneling between Defects in MgO
K. P. McKenna and J. Blumberger
Physical Review B 86, 245110 (2012)
link to text - Laser-assisted field evaporation from insulators triggered by photoinduced hole accumulation
H. Tamura, M. Tsukada, K. P. McKenna, A. L. Shluger, T. Ohkubo and K. Hono
Physical Review B 86, 195430 (2012)
link to text - Hole trapping at surfaces of m-ZrO2 and m-HfO2 nanocrystals
M. J. Wolf, K. P. McKenna and A. Shluger
Journal of Physical Chemistry C 116, 25888 (2012)
link to text - Atomic origins of the high catalytic activity of nanoporous gold
T. Fujita, P. Guan, K. P. McKenna, X. Lang, A. Hirata, L. Zhang, T. Tokunaga, S. Arai, Y. Yamamoto, N. Tanaka, Y. Ishikawa, N. Asao, Y. Yamamoto, J. Erlebacher and M. Chen
Nature Materials 11, 775-780 (2012)
link to text - Exciton formation at solid-solid interfaces: a systematic experimental and ab initio study on compressed MgO nanopowders
A. Sternig, D. Koller, N. Siedl, O. Diwald and K. P. McKenna
Journal of Physical Chemistry C 116, 10103 (2012)
link to text - Two-dimensional polaronic behavior in the binary oxides m-HfO2 and m-ZrO2
K. P. McKenna, M. J. Wolf, A. L. Shluger, S. Lany and A. Zunger
Physical Review Letters 108, 116404 (2012)
link to text - Silica and High-k Dielectric Thin Films in Microelectronics
G. Bersuker, K. McKenna and A. Shluger
Book chapter in "Oxide Ultrathin Films: Science and Technology (1st Edition), Eds. Gianfranco Pacchioni and Sergio Valeri, Wiley (2012)
link to text - Metal Oxide RRAM Switching Mechanism Based on Conductive Filament Properties
G. Bersuker, D. C. Gilmer, D. Veksler, P. Kirsch, L. Vandelli, A. Padovani, L. Larcher, K. P. McKenna, A. Shluger, V. Iglesias, M. Porti, and M. Nafría
Journal of Applied Physics 110, 124518 (2011)
link to text - Grain boundary-driven leakage path formation in HfO2 dielectrics
G. Bersuker, J. Yum, L. Vandelli, A. Padovani, L. Larcher, V. Iglesias, M. Porti, M. Nafria, K. P. McKenna, A. Shluger, P. Kirsch and R. Jammy
Solid-State Electronics 65-66, 146-150 (2011)
link to text - Atom-Resolved Imaging of Ordered Defect Superstructures at Individual Grain Boundaries
Z. Wang, M. Saito, K. McKenna, L. Gu, S. Tsukimoto, A. Shluger and Y. Ikuhara
Nature 479, 380-383 (2011)
link to text - Grain boundary mediated leakage current in polycrystalline HfO2 films
K. P. McKenna, A. Shluger, V. Iglesias, M. Porti, M. Nafria, M. Lanza and G. Bersuker
Microelectronic Engineering 88, 1272 (2011)
link to text - Optical Properties of Nanocrystal Interfaces in Compressed MgO Nanopowders
K. P. McKenna, D. Koller, A. Sternig, N. Siedl, N. Govind, P. Sushko and O. Diwald
ACS Nano, 5, 3003-3009 (2011)
link to text - Electron and hole trapping in polycrystalline metal oxide materials
K. P. McKenna and A. L. Shluger
Proceedings of the Royal Society A 467, 2043-2053 (2011) (Special Issue: UK Materials Chemistry Consortium)
link to text - Mechanism of laser assisted field evaporation from insulating oxides
M. Tsukada, H. Tamura, K. P. McKenna, A. Shluger, Y. Chen, T. Ohkubo and K. Hono
Ultramicroscopy 111, 567-570 (2011) (Special Issue: 52nd International Field Emission Symposium)
link to text - Grain Boundary-Driven Leakage Path Formation in HfO2 Dielectrics
G. Bersuker, J. Yum, V. Iglesias, M. Porti, M. Nafria, K. McKenna, A. Shluger, P. Kirsch and R. Jammy
Proceedings European Solid-State Device Research Conference, 333 (2010)
link to text - Metal oxide RRAM switching mechanism based on conductive filament microscopic properties
G. Bersuker, D. C. Gilmer, D. Veksler, J. Yum, H. Park, S. Lian, L. Vandelli, A. Padovani, L. Larcher, K. P. McKenna, A. Shluger, V. Iglesias, M. Porti, M. Nafria, W. Taylor, P. D. Kirsch and R. Jammy
Electron Devices Meeting (IEDM), 2010 IEEE International 19.6.1, 6-8 Dec. 2010
link to text - Interplay Between Adsorbate Diffusion and Electron Tunneling at an Insulating Surface
K. P. McKenna, T. Trevethan and A. L. Shluger
Physical Review B 82, 085427 (2010)
link to text - Photoluminescence properties of alkaline-earth oxide nanoparticles
P. V. Sushko, K. P. McKenna, D. Munoz-Ramo, A. L. Shluger, A. Sternig, S. Stankic, M. Muller and O. Diwald
Electrochemical Society Transactions 28, 67 (2010)
link to text - Electronic and Optical Properties of Polycrystalline Metal-Oxide Materials
K. P. McKenna and A. L. Shluger
AMTC Letters 2, 186 (2010)
link to text - The interaction of oxygen vacancies with grain boundaries in monoclinic HfO2
K. P. McKenna and A. L. Shluger
Applied Physics Letters 95, 222111 (2009)
link to text - Modelling of electron and hole trapping in oxides
K. P. McKenna, P. V. Sushko, A. V. Kimmel, D. Munoz Ramo and A. L. Shluger
Modelling and Simulation in Materials Science and Engineering 17, 084004 (2009)
link to text - Unique Bonding in Nanomaterials and Powders
K. P. McKenna
Book chapter in "Nanomaterials in Chemistry (2nd Edition)", Eds. K. J. Klabunde and R. M. Richards, John Wiley & Sons (2009)
link to text - Tuning photoluminescence properties of alkaline-earth oxide nanoparticles by site selective functionalization and doping
P. V. Sushko, K. P. McKenna, A. L. Shluger and O. Diwald
Electrochemical Society Transactions 25, 131 (2009)
link to text - First Principles Calculations of Defects Near a Grain Boundary in MgO
K. P. McKenna and A. L. Shluger
Physical Review B 79, 224116 (2009) [selected as an Editor's suggestion]
link to text - Electronic Properties of Defects in Polycrystalline Dielectric Materials
K. P. McKenna and A. L. Shluger
Microelectronics Engineering 86, 1751-1755 (2009)
link to text - Gold Nanoparticles Under Gas Pressure
K. P. McKenna
Physical Chemistry Chemical Physics 11, 4145-4151 (2009)
link to text - Electron Trapping Polycrystalline Materials with Negative Electron Affinity
K. P. McKenna and A. L. Shluger
Nature Materials 7, 859-862 (2008)
link to text - Origin of the Asymmetry in the Magnitude of the Statistical Variability of n- and p-channel Poly Si Gate Bulk MOSFETs
A. Asenov, A. Cathignol, B. Cheng, K. P. McKenna, A. R. Brown, A. L. Shluger, G. Ghibaudo
IEEE Electron Device Letters 29, 913-915 (2008)
link to text - Shaping the Morphology of Gold Nanoparticles by CO Adsorption
K. P. McKenna and A. L. Shluger
Journal of Physical Chemistry C (Letter) 111, 18848-18852 (2007)
link to text - Quantum simulations of spin-relaxation and transport in copper
K. P. McKenna and G. J. Morgan
European Physical Journal B 59, 451 (2007) (topical issue on "New Trends in Spin Transfer Physics")
link to text - Inside powders: A theoretical model of interfaces between MgO nanocrystallites
K. P. McKenna, P. V. Sushko, and A. L. Shluger
Journal of the American Chemical Society 129, 8600-8608 (2007)
link to text - Dynamics of Low-coordinated Surface Atoms on Gold Nanocrystallites
K. P. McKenna, P. V. Sushko, and A. L. Shluger
Journal of Chemical Physics 126, 154704 (2007) [Also selected for publication in the Virtual Journal of Nanoscale Science & Technology]
link to text - Transient Atomic Configurations of Supported Gold Nanocrystallites at Finite Temperature
K. P. McKenna, P. V. Sushko, and A. L. Shluger
Journal of Physical Chemistry C (Letter) 111, 2823-2826 (2007)
link to text - Quantum transport simulation based on an equation of motion method: An application to current-perpendicular-to-the-plane giant
magnetoresistance
K. P. McKenna, L. A. Michez, G. J. Morgan and B. J. Hickey
Physical Review B 72, 054418 (2005) [Also selected for publication in the Virtual Journal of Nanoscale Science & Technology]
link to text - The simulation of the electronic transport properties of nanoscale devices
K. P. McKenna
PhD Thesis, University of Leeds (2005)