Publications

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2016

  • B. Alling, F. Körmann, B. Grabowski, A. Glensk, I. A. Abrikosov and J. Neugebauer. "Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics", Phys. Rev. B, Vol. 93, Jun, 2016, pp. 224411. [More] [Digital version]
  • B. Alling, F. Koermann, B. Grabowski, A. Glensk, I. A. Abrikosov and J. Neugebauer. "Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics", PHYSICAL REVIEW B, Vol. 93, JUN 9, 2016. [More]
  • A. A. Tal et al. "Pressure-induced crossing of the core levels in $5d$ metals", Phys. Rev. B, Vol. 93, May, 2016, pp. 205150. [More] [Digital version]
  • V. Potapkin et al. "Magnetic interactions in NiO at ultrahigh pressure", Phys. Rev. B, Vol. 93, May, 2016, pp. 201110. [More] [Digital version]
  • F. Wang, I. A. Abrikosov, S. I. Simak, M. Odén and F. M\. "Coherency effects on the mixing thermodynamics of cubic ${\mathrmTi}_{1\ensuremath-x}{\mathrmAl}_x\mathrmN/\mathrmTiN$(001) multilayers", Phys. Rev. B, Vol. 93, May, 2016, pp. 174201. [More] [Digital version]
  • D. G. Sangiovanni, O. Hellman, B. Alling and I. A. Abrikosov. "Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium \textitab initio molecular dynamics", Phys. Rev. B, Vol. 93, Mar, 2016, pp. 094305. [More] [Digital version]
  • M. Dahlqvist et al. "Magnetically driven anisotropic structural changes in the atomic laminate $\mathrmM{\mathrmn}_2\mathrmGaC$", Phys. Rev. B, Vol. 93, Jan, 2016, pp. 014410. [More] [Digital version]
  • M. Dahlqvist. "Benefits of oxygen incorporation in atomic laminates", Journal of Physics: Condensed Matter, Vol. 28. 2016, pp. 135501. [More] [Digital version]
  • D. G. Kvashnin, A. V. Krasheninnikov, D. Shtansky, P. B. Sorokin and D. Golberg. "Nanostructured BN-Mg composites: features of interface bonding and mechanical properties", Phys. Chem. Chem. Phys., Vol. 18. 2016, pp. 965-969. [More] [Digital version]
  • K. L. Firestein et al. "Structural analysis and atomic simulation of Ag/BN nanoparticle hybrids obtained by Ag ion implantation", Materials & Design, Vol. 98. 2016, pp. 167 - 173. [More] [Digital version]

2015

  • [More] [Digital version]
  • N. M. Caffrey, R. Armiento, R. Yakimova and I. A. Abrikosov. "Charge neutrality in epitaxial graphene on $6H$-SiC(0001) via nitrogen intercalation", Phys. Rev. B, Vol. 92, Aug, 2015, pp. 081409. [More] [Digital version]
  • A. Gällström et al. "Optical properties and Zeeman spectroscopy of niobium in silicon carbide", Phys. Rev. B, Vol. 92, Aug, 2015, pp. 075207. [More] [Digital version]
  • A. A. Tal, E. P. M\"unger and I. A. Abrikosov. "Morphology transition mechanism from icosahedral to decahedral phase during growth of Cu nanoclusters", Phys. Rev. B, Vol. 92, Jul, 2015, pp. 020102. [More] [Digital version]
  • O. Y. Vekilova, L. V. Pourovskii, I. A. Abrikosov and S. I. Simak. "Electronic correlations in Fe at Earth's inner core conditions: Effects of alloying with Ni", Phys. Rev. B, Vol. 91, Jun, 2015, pp. 245116. [More] [Digital version]
  • Z. Raza, N. Shulumba, N. M. Caffrey, L. Dubrovinsky and I. A. Abrikosov. "First-principles calculations of properties of orthorhombic iron carbide ${\mathrmFe}_7{\mathrmC}_3$ at the Earth's core conditions", Phys. Rev. B, Vol. 91, Jun, 2015, pp. 214112. [More] [Digital version]
  • E. Mozafari, B. Alling, P. Steneteg and I. A. Abrikosov. "Role of N defects in paramagnetic CrN at finite temperatures from first principles", Phys. Rev. B, Vol. 91, Mar, 2015, pp. 094101. [More] [Digital version]
  • K. Szász, V. Ivády, I. A. Abrikosov, E. Janzén, M. Bockstedte and A. Gali. "Spin and photophysics of carbon-antisite vacancy defect in $4H$ silicon carbide: A potential quantum bit", Phys. Rev. B, Vol. 91, Mar, 2015, pp. 121201. [More] [Digital version]
  • D. G. Sangiovanni, B. Alling, P. Steneteg, L. Hultman and I. A. Abrikosov. "Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in $B1$ TiN studied by \textitab initio and classical molecular dynamics with optimized potentials", Phys. Rev. B, Vol. 91, Feb, 2015, pp. 054301. [More] [Digital version]
  • Y. K. Vekilov, O. M. Krasilnikov and A. V. Lugovskoy. "Elastic properties of solids at high pressure", Physics-Uspekhi, Vol. 58. 2015, pp. 1106. [More] [Digital version]
  • M. P. Belov, A. B. Syzdykova, Y. K. Vekilov and I. A. Abrikosov. "Hydrogen in palladium: Anharmonicity of lattice dynamics from first principles", Physics of the Solid State, Vol. 57. 2015, pp. 260-265. [More] [Digital version]
  • A. V. Ponomareva, Y. N. Gornostyrev and I. A. Abrikosov. "Energy of interaction between carbon impurities in paramagnetic $\gamma$-iron", Journal of Experimental and Theoretical Physics, Vol. 120. 2015, pp. 716-724. [More] [Digital version]
  • F. Tasnádi, F. Wang, M. Odén and I. A. Abrikosov. "Special quasirandom structure method in application for advanced properties of alloys: A study on Ti0.5Al0.5N and TiN/Ti0.5Al0.5N multilayer", Computational Materials Science, Vol. 103. 2015, pp. 194 - 199. [More] [Digital version]
  • Z. Raza, B. Alling and I. A. Abrikosov. "Computer simulations of glasses: the potential energy landscape", Journal of Physics: Condensed Matter, Vol. 27. 2015, pp. 293201. [More] [Digital version]
  • K. A. Kuptsov, P. V. Kiryukhantsev-Korneev, A. N. Sheveyko and D. V. Shtansky. "Surface modification of TiAlSiCN coatings to improve oxidation protection", Applied Surface Science, Vol. 347. 2015, pp. 713 - 718. [More] [Digital version]
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