Materials screening from noninteracting models
ORAL
Abstract
Properly accounting for interactions is one of the chief bottlenecks in understanding material properties, owing to the exponential expansion of the Hilbert space. Mean-field techniques allow for re-contraction of the state space while potentially preserving much of the intricacies of the interacting phase diagram. We establish and verify a correspondence between different interaction channels in the mean-field basis, allowing us to make predictions of one property based on measurements or calculations of another unrelated property. We focus specifically on predicting Tc from the exchange interaction, which is not the pairing glue. Our results provide a basis for high-throughput screening of materials by desired properties, say Tc, directly from the noninteracting model and without the need for self-consistent mean-field calculations.
* D.C.W. Foo, L. Peng and S. Adam would like to acknowledge support from the Singapore National Research Foundation Investigator Award (NRF-NRFI06-2020-0003).
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Presenters
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Darryl Foo
Natl Univ of Singapore, National University of Singapore
Authors
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Darryl Foo
Natl Univ of Singapore, National University of Singapore
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Liangtao Peng
Natl Univ of Singapore, National University of Singapore
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Francisco Guinea
IMDEA Nanociencia, IMDEA Nanociencia, C/ Faraday 9, 28049 MADRID, Donostia International Physics Center, Imdea Nanociencia
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Shaffique Adam
Natl Univ of Singapore, National University of Singapore