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Journal Article (31)

21.
Journal Article
Ektarawong, A.; Simak, S. I.; Hultman, L.; Birch, J.; Tasnádi, F.; Wang, F.; Alling, B.: Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics. The Journal of Chemical Physics 144 (13), 134503 (2016)
22.
Journal Article
Sangiovanni, D. G.; Hellman, O.; Alling, B.; Abrikosov, I. A.: Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics. Physical Review B 93 (9), 094305 (2016)
23.
Journal Article
Sarakinos, K.; Greczynski, G.; Elofsson, V.; Magnfält, D.; Högberg, H.; Alling, B.: Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag–Mo binary system. Journal of Applied Physics 119 (9), 095303 (2016)
24.
Journal Article
Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J. A.: Magnetic exchange interactions and critical temperature of the nanolaminate Mn2GaC from first-principles supercell methods. Physical Review B 93 (5), 054432 (2016)
25.
Journal Article
Tholander, C.; Birch, J.; Tasnádi, F.; Hultman, L.; Palisaitis, J.; Persson, P. O. Å.; Jensen, J. A. D.; Sandström, P. A.; Alling, B.; Žukauskaitė, A.: Ab initio calculations and experimental study of piezoelectric YxIn1-xN thin films deposited using reactive magnetron sputter epitaxy. Acta Materialia 105, pp. 199 - 206 (2016)
26.
Journal Article
Eklund, P.; Kerdsongpanya, S.; Alling, B.: Transition-metal-nitride-based thin films as novel energy harvesting materials. Journal of Materials Chemistry C 4 (18), pp. 3905 - 3914 (2016)
27.
Journal Article
Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J. A.: Phase stability of the nanolaminates V2Ga2C and (Mo1-xVx)2Ga2C from first-principles calculations. Physical Chemistry Chemical Physics 18 (18), pp. 12682 - 12688 (2016)
28.
Journal Article
Tholander, C.; Tasnádi, F.; Abrikosov, I. A.; Hultman, L.; Birch, J.; Alling, B.: Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles. Physical Review B 92 (17), 174119 (2015)
29.
Journal Article
Greczynski, G.; Patscheider, J.; Lu, J.; Alling, B.; Ektarawong, A.; Jensen, J. M.; Petrov, I. G.; Greene, J. E.; Hultman, L.: Control of Ti1−xSixN nanostructure via tunable metal-ion momentum transfer during HIPIMS/DCMS co-deposition. Surface and Coatings Technology 280, pp. 174 - 184 (2015)
30.
Journal Article
Ektarawong, A.; Simak, S. I.; Hultman, L.; Birch, J.; Alling, B.: Configurational order-disorder induced metal-nonmetal transition in B13C2 studied with first-principles superatom-special quasirandom structure method. Physical Review B 92 (1), 014202 (2015)
31.
Journal Article
Höglund, C.; Alling, B.; Jensen, J. M.; Hultman, L.; Birch, J.; Hall-Wilton, R. J.: Growth and oxidization stability of cubic Zr1-xGdxN solid solution thin films. Journal of Applied Physics 117 (19), 195301 (2015)

Talk (2)

32.
Talk
Stockem, I.; Alling, B.: Interdependence of the spin and lattice dynamics of CrN in the high temperature paramagnetic phase. DPG Frühjahrstagung, Dresden, Germany (2017)
33.
Talk
Körmann, F.; Alling, B.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Parameter-free Computational Design of Magnetic Materials – Recent Advances in Ab Initio Techniques of Coupled Lattice and Spin Fluctuations. MRS Fall Meeting 2016, Boston, MA, USA (2016)

Poster (1)

34.
Poster
Dutta, B.; Körmann, F.; Alling, B.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Interaction of magnetic and lattice degrees of freedom. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)
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