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Journal Article (31)

1. 1.
   MPG.PuRe

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   Stockem, I.; Bergman, A.; Glensk, A.; Hickel, T.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Alling, B.: Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 121 (12), 125902 (2018)
2. 2.
   MPG.PuRe

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   Fallqvist, A.; Olovsson, W.; Alling, B.; Palisaitis, J.; Belov, M. P.; Abrikosov, I. A.; Hultman, L.; Persson, P. O. Å.: Resolving the debated atomic structure of the metastable cubic SiN_x tissue phase in nanocomposites with TiN. Physical Review Materials 2 (9), 093608 (2018)
3. 3.
   MPG.PuRe

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   Ekholm, M.; Gambino, D.; Jönsson, H. J. M.; Tasnádi, F.; Alling, B.; Abrikosov, I. A.: Assessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 98 (9), 094413 (2018)
4. 4.
   MPG.PuRe

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   Gambino, D.; Alling, B.: Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B 98 (6), 064105 (2018)
5. 5.
   MPG.PuRe

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   Journal Article

   Ektarawong, A.; Alling, B.: Stability of SnSe_1-xS_x solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 30 (29), 29LT01 (2018)
6. 6.
   MPG.PuRe

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   Ektarawong, A.; Simak, S. I.; Alling, B.: Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B 97 (17), 174104 (2018)
7. 7.
   MPG.PuRe

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   Gharavi, M.; Armiento, R.; Alling, B.; Eklund, P.: Theoretical study of phase stability, crystal and electronic structure of MeMgN₂ (Me = Ti, Zr, Hf) compounds. Journal of Materials Science: Materials in Electronics 53 (6), pp. 4294 - 4305 (2018)
8. 8.
   MPG.PuRe

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   Mozafari, E.; Alling, B.; Belov, M. P.; Abrikosov, I. A.: Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture. Physical Review B 97 (3), 035152 (2018)
9. 9.
   MPG.PuRe

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   Kerdsongpanya, S.; Hellman, O.; Sun, B.; Koh, Y. K.; Lu, J.; Van Nong, N.; Simak, S. I.; Alling, B.; Eklund, P.: Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth. Physical Review B 96 (19), 195417 (2017)
10. 10.
    MPG.PuRe

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    Journal Article

    Gambino, D.; Sangiovanni, D. G.; Alling, B.; Abrikosov, I. A.: Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B 96 (10), 104306 (2017)
11. 11.
    MPG.PuRe

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    Journal Article

    Ektarawong, A.; Simak, S. I.; Alling, B.: First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system. Physical Review B 96 (2), 024202 (2017)
12. 12.
    MPG.PuRe

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    Journal Article

    Landälv, L.; Lu, J.; Spitz, S.; Leiste, H.; Ulrich, S.; Johansson-Jöesaar, M. P.; Ahlgren, M.; Göthelid, E.; Alling, B.; Hultman, L. et al.; Stüber, M.; Eklund, P.: Structural evolution in reactive RF magnetron sputtered (Cr,Zr)₂O₃ coatings during annealing. Acta Materialia 131, pp. 543 - 552 (2017)
13. 13.
    MPG.PuRe

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    Journal Article

    Ektarawong, A.; Simak, S. I.; Alling, B.: Thermodynamic stability and properties of boron subnitrides from first principles. Physical Review B 95 (6), 064206 (2017)
14. 14.
    MPG.PuRe

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    Journal Article

    Mockute, A.; Palisaitis, J.; Alling, B.; Berastegui, P.; Broitman, E.; Näslund, L. Å.; Nedfors, N.; Lu, J.; Jensen, J. M.; Hultman, L. et al.; Patscheider, J.; Jansson, U.; Persson, P. O. Å.; Rosén, J. A.: Age hardening in (Ti_{1 − x}Al_x)B_{2 + Δ} thin films. Scripta Materialia 127, pp. 122 - 126 (2017)
15. 15.
    MPG.PuRe

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    Journal Article

    Kerdsongpanya, S.; Sun, B.; Eriksson, F.; Jensen, J. A. D.; Lu, J.; Koh, Y. K.; Nong, N.; Balke, B.; Alling, B.; Eklund, P.: Experimental and theoretical investigation of Cr_1-xSc_xN solid solutions for thermoelectrics. Journal of Applied Physics 120 (21), 215103 (2016)
16. 16.
    MPG.PuRe

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    Shulumba, N.; Hellman, O.; Raza, Z.; Alling, B.; Barrirero, J.; Mücklich, F. T.; Abrikosov, I. A.; Odén, M.: Lattice vibrations change the solid solubility of an alloy at high temperatures. Physical Review Letters 117 (20), 205502 (2016)
17. 17.
    MPG.PuRe

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    Mozafari, E.; Shulumba, N.; Steneteg, P.; Alling, B.; Abrikosov, I. A.: Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations. Physical Review B 94 (5), 054111 (2016)
18. 18.
    MPG.PuRe

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    Journal Article

    Ektarawong, A.; Simak, S. I.; Alling, B.: Carbon-rich icosahedral boron carbides beyond B4 C and their thermodynamic stabilities at high temperature and pressure from first principles. Physical Review B 94 (5), 054104 (2016)
19. 19.
    MPG.PuRe

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    Journal Article

    Olovsson, W.; Alling, B.; Magnuson, M.: Structure and Bonding in Amorphous Cr_1-xC_x Nanocomposite Thin Films: X-ray Absorption Spectra and First-Principles Calculations. The Journal of Physical Chemistry C 120 (23), pp. 12890 - 12899 (2016)
20. 20.
    MPG.PuRe

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    Journal Article

    Alling, B.; Körmann, F.; Grabowski, B.; Glensk, A.; Abrikosov, I. A.; Neugebauer, J.: Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 93 (22), 224411 (2016)