416 citations · 1.5k across the 24 of their papers we have counts for
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cond-mat.str-el2014★ 46 cited
The role of N defects in paramagnetic CrN at finite temperatures from first-principles
Elham Mozafari, Björn Alling, Peter Steneteg +1
Simulations of defects in paramagnetic materials at high temperature constitute a formidable challenge to solid state theory due to the interaction of magnetic disorder, vibrations…
cond-mat.mtrl-sci2014★ 54 cited
Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab-initio molecular dynamics
Nina Shulumba, Björn Alling, Olle Hellman +4
We present a theoretical first-principles method to calculate the free energy of a magnetic system in its high-temperature paramagnetic phase, including vibrational, electronic, an…