Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) by Mendive Tapia, E, Patrick, CE, Hickel, T, Neugebauer, J, Staunton, JB

Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys by Maisel, S. B., Ko, W.-S., Grabowski, B., Neugebauer, J., Zhang, J.-L.

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Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni by Gong, Y, Grabowski, B, Glensk, A, Körmann, F, Neugebauer, J, Reed, R

Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni by Zhang, X, Grabowski, B, Koermann, F, Ruban, AV, Reed, RC, Gong, Y, Hickel, T, Neugebauer, J

Impact of local electrostatic field rearrangement on field ionization by Katnagallu, S, Dagan, M, Parviainen, S, Nematollahi, A, Grabowski, B, Bagot, P, Rolland, N, Neugebauer, J, Raabe, D, Vurpillot, F, Moody, M, Gault, B