<div class="csl-bib-body">
<div class="csl-entry">van Roekeghem, A., Ayral, T., Tomczak, J. M., Casula, M., Xu, N., Ding, H., Ferrero, M., Parcollet, O., Jiang, H., & Biermann, S. (2014). Dynamical Correlations and Screened Exchange on the Experimental Bench: Spectral Properties of the Cobalt Pnictide BaCo₂ As₂. <i>Physical Review Letters</i>, <i>113</i>(266403). https://doi.org/10.1103/physrevlett.113.266403</div>
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dc.identifier.issn
0031-9007
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/157567
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dc.description.abstract
Understanding the Fermi surface and low-energy excitations of iron or cobalt pnictides is crucial for assessing electronic instabilities such as magnetic or superconducting states. Here, we propose and implement a new approach to compute the low-energy properties of correlated electron materials, taking into account both screened exchange beyond the local density approximation and local dynamical correlations. The scheme allows us to resolve the puzzle of BaCo2As2, for which standard electronic structure techniques predict a ferromagnetic instability not observed in nature.
en
dc.language.iso
en
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dc.relation.ispartof
Physical Review Letters
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dc.subject
General Physics and Astronomy
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dc.title
Dynamical Correlations and Screened Exchange on the Experimental Bench: Spectral Properties of the Cobalt Pnictide BaCo₂ As₂