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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.str-el2010★ 168 cited
Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN
B. Alling, T. Marten, I. A. Abrikosov
We use first-principles calculations to study the effect of magnetic disorder and electron correlations on the structural and thermodynamic properties of CrN. We illustrate the usa…