Browsing Computational File Repository by Author "Palumbo, Mauro"
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Thermodynamic assessment of the Co-Ta system
Wang, Peisheng; Koßmann, Jörg; Kattner, Ursula R; Palumbo, Mauro; Hammerschmidt, Thomas; Olson, Gregory B (2018-12)The Co-Ta system has been reviewed and the thermodynamic description was re-assessed in the present work. DFT (density functional theory) calculations considering spin polarization were performed to obtain the energies for ...