Die Arbeit der Beiräte in Familienunternehmen

Kormann, Hermut

doi:10.1007/978-3-662-44429-0

Cited by 18 publications

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Usually about 50-100 magnetic configurations yield converged forces [37]. Note that the treatment of magnetic partially disordered configurations requires advanced sampling techniques, which are beyond the scope of the present manuscript and will be discussed elsewhere [49]. In the present work the magnetic disordered configurations m are constructed by all 3N Cartesian (positive and negative) displacements for the given SQS super-cell, resulting in 384 magnetic configurations.…”

Section: B Phonon Calculationsmentioning

confidence: 99%

Structural stability and thermodynamics of CrN magnetic phases fromab initiocalculations and experiment

et al. 2014

View full text Add to dashboard Cite

The dynamical and thermodynamic phase stabilities of the stoichiometric compound CrN including different structural and magnetic configurations are comprehensively investigated using a first-principles density-functional-theory (DFT) plus U approach in conjunction with experimental measurements of the thermal expansion. Comparing DFT and DFT+U results with experimental data reveals that the treatment of electron correlations using methods beyond standard DFT is crucial. The non-magnetic face-centered cubic B1-CrN phase is both, elastically and dynamically unstable, even under high pressure, while CrN phases with non-zero local magnetic moments are predicted to be dynamically stable within the framework of the DFT+U scheme. Furthermore, the impact of different treatments for the exchange-correlation

show abstract

Section: B Phonon Calculationsmentioning

confidence: 99%