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cond-mat.mtrl-sci2018
Remarkable thermoelectric performance in BaPdS via pudding-mold band structure and ultralow lattice thermal conductivity
Eric B. Isaacs, Chris Wolverton
Efficient thermoelectric materials require a rare and contraindicated combination of materials properties: large electrical conductivity, large Seebeck coefficient, and low thermal…
cond-mat.str-el2018
A materials informatics approach to the identification of one-band correlated materials analogous to the cuprates
Eric B. Isaacs, Chris Wolverton
One important yet exceedingly rare property of the cuprate high-temperature superconductors is the presence of a single correlated band in the low-energy spectrum, leading to t…
cond-mat.mtrl-sci2018
Performance of the strongly constrained and appropriately normed density functional for solid-state materials
Eric B. Isaacs, Chris Wolverton
Constructed to satisfy all known exact constraints and appropriate norms for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generaliz…