Publications 2018

Reliable determination of chemical state in x-ray photoelectron spectroscopy based on sample-work-function referencing to adventitious carbon: Resolving the myth of apparent constant binding energy of the C 1s peak
Author links open overlay panelG. Greczynski and L. Hultman
Applied Surface Science, 451 (2018) 99

Enhanced Ti0.84Ta0.16N diffusion barriers, grown by a hybrid sputtering technique with no substrate heating, between Si(001) wafers and Cu overlayers
M. Mühlbacher, G. Greczynski, B. Sartory, N. Schalk, J. Lu, I. Petrov, J.E. Greene, L. Hultman and C. Mitterer
Scientific Reports, 8 (2018) 5360

Chemical bonding in epitaxial ZrB2 studied by X-ray spectroscopy
M. Magnuson, L. Tengdelius, G. Greczynski, L. Hultman, H. Högberg
Thin Solid Films, 649 (2018) 89

Substantial difference in target surface chemistry between reactive dc and high power impulse magnetron sputtering
G. Greczynski, S. Mráz, J.M. Schneider and L. Hultman
Journal of Physics D: Applied Physics, 51 (2018) 05LT01

Enhanced thermal stability and fracture toughness of TiAlN coatings by Cr, Nb and V-alloyingAuthor links open overlay panel
Y.H. Chen, J.J. Roa, C.H. Yu, M.P.Johansson-Jõesaar, J.M. Andersson, M.J. Anglada, M. Odén and L.Rogström
Surface and Coatings Technology, 342 (2018) 85

Implementation of advanced characterisation techniques for assessment of grinding effects on the surface integrity of WC–Co cemented carbides
J. Yang, J.J. Roa, M. Schwind, M. Odén, M.P. Johansson-Jõesaar, J. Esteve and L. Llanes
Powder Metallurgy 61 (2018) 10

Synthesis and characterization of multicomponent (CrNbTaTiW)C films for increased hardness and corrosion resistanceuthor links open overlay pan

P. Malinovskis, S. Fritze, L. Riekehr, L. von Fieandt, J. Cedervall, D. Rehnlund, L. Nyholm, E. Lewin and U. Jansson
Materials & Design, 149 (2018) 51

Hard and crack resistant carbon supersaturated refractory nanostructured multicomponent coatings
S. Fritze, P. Malinovskis, L. Riekehr, L. von Fieandt, E. Lewin and U. Jansson
Scientific Reports 8 (2018) 14508

Structure and Hydrogenation Properties of a HfNbTiVZr High-Entropy Alloy
D. Karlsson, G. Ek, J. Cedervall, C. Zlotea, K.T. Møller, T.C. Hansen, J. Bednarčík, M. Paskevicius, M. Helgerud Sørby, T.R. Jensen, U. Jansson and M. Sahlberg
Inorganic Chemistry, 57 (2018) 2103

Effect of ion-implantation-induced defects and Mg dopants on the thermoelectric properties of ScN
N. Tureson, M. Marteau, T. Cabioch, N. Van Nong, J. Jensen, J. Lu, G. Greczynski, D. Fournier, N. Singh, A. Soni, L. Belliard, P. Eklund and A. le Febvrier
Physical Review B, 98 (2018) 205307

Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds
M.A. Gharavi, R. Armiento, B. Alling and P. Eklund
Journal of Materials Science, 53 (2018) 4294

Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts
E. Bykova, M. Bykov, A. Černok, J. Tidholm, S.I. Simak, O. Hellman, M.P. Belov, I.A. Abrikosov, H.-P. Liermann, M. Hanfland, V.B. Prakapenka, C. Prescher, N. Dubrovinskaia and L. Dubrovinsky
Nature Communications, 9 (2018) 4789

Thermal expansion of quaternary nitride coatings
F. Tasnádi, F. Wang, M. Odén and I.A. Abrikosov
Journal of Physics: Condensed Matter, 30 (2018) 135901

Assessing the SCAN functional for itinerant electron ferromagnets
M. Ekholm, D. Gambino, H.J.M. Jönsson, F. Tasnádi, B. Alling and I.A. Abrikosov
Physical Review B, 98 (2018) 094413

Resolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN
A. Fallqvist, W. Olovsson, B. Alling, J. Palisaitis, M.P. Belov, I.A. Abrikosov, L. Hultman, and P.O.Å. Persson
Physical Review Materials, 2 (2018) 093608

Elastic properties and plastic deformation of TiC- and VC-based pseudobinary alloys
Author links open overlay panelD. Edström, D.G. Sangiovanni, L. Hultman, I. Petrov, J.E. Greene and V. Chirita
Acta Materialia, 144 (2018) 376

Inherent toughness and fracture mechanisms of refractory transition-metal nitrides via density-functional molecular dynamics
Author links open overlay panelD.G. Sangiovanni
Acta Materialia, 151 (2018) 11

Copper adatom, admolecule transport, and island nucleation on TiN(0 0 1) via ab initio molecular dynamics
D.G. Sangiovanni
Applied Surface Science, 450 (2018) 180

On the challenge to improve the density response with unusual gradient approximations
J. Garhammer, F. Hofmann, R. Armiento and S. Kümmel
The European Physical Journal B, 91 (2018) 159

Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds
M.A. Gharavi, R. Armiento, B. Alling, and P. Eklund
Journal of  Material Science, 53 (2018) 4294

First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H–SiC
J. Davidsson, V. Ivády, R. Armiento, N.T. Son, A. Gali and I.A. Abrikosov
New Journal of Physics, 20 (2018) 023035

Big Semantic Data Processing in the Materials Design Domain
P. Lambrix, R. Armiento, A. Delin and H. Li
Encyclopedia of Big Data Technologies (2018)

Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains
M. Bykov, E. Bykova, G. Aprilis, K. Glazyrin, E. Koemets, I. Chuvashova, I. Kupenko, C. McCammon, M. Mezouar, V. Prakapenka, H.-P. Liermann, F. Tasnádi, A.V. Ponomareva, I.A. Abrikosov, N. Dubrovinskaia and L. Dubrovinsky
Nature Communications, 9 (2018) 2756

High-pressure synthesis of a nitrogen-rich inclusion compound ReN8·xN2 with conjugated polymeric nitrogen chains
M. Bykov, E. Bykova, E. Koemets, T. Fedotenko, G. Aprilis, K. Glazyrin, H.-P. Liermann, A.V. Ponomareva, J. Tidholm, F. Tasnádi, I.A. Abrikosov, N. Dubrovinskaia and L. Dubrovinsky
Angewandte Chemie International Edition, 57 (2018) 9048

High temperature thermodynamics of spinodal decomposition in arc deposited TixNbyAlzN coatings
F. Tasnádi, L. Rogström, J. Zhu, F. Wang, T.-W. Hsu, H. Lind, I.A. Abrikosov, M.P. Johansson-Jõesaar and M. Odén
Materials & Design, 150 (2018) 165

Thermal expansion of quaternary nitride coatings
F. Tasnádi, F. Wang, M. Odén and I.A. Abrikosov
Journal of Physics: Condensed Matter, 30 (2018) 13590

Time evolution of the CO2 hydrogenation to fuels over Cu-Zr-SBA-15 catalysts
A. Atakan, E. Erdtman, P. Mäkie, L. Ojamäe and M. Odén
Journal of Catalysis, 362 (2018) 55

Formation of block-copolymer-templated mesoporous silica
E.M. Björk, P. Mäkie, L. Rogström, A. Atakan, N. Schell and M. Odén
Journal of Colloid and Interface Science, 521 (2018) 183