Dataset of tensorial optical and transport properties of materials from the Wannier function method

Abstract The discovery of functional materials for energy harvesting and electronic applications require accurate predictions of their optical and transport properties. While several existing datasets contain the optical and transport properties calculated from first-principles calculations, the amo...

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Bibliographic Details
Main Authors: Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-025-05396-9
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