Thermoelectric Materials: Accelerated Screening of Thermoelectric Materials by First‐Principles Computations of Electron–Phonon Scattering (Adv. Energy Mater. 20/2018)
Year: 2018
Type: article
Abstract: In article number 1800246, Boris Kozinsky and Georgy Samsonidze introduce an efficient approach for first-principles prediction of thermoelectric transport and use it to calculate electronic transport properties of semiconductors, starting from energy-dependent electronic relaxation times due to electron–phonon scattering. The method enables computational screening of a wide range of half-Heusler alloy compositions and discovery of new material compositions.
Source: Advanced Energy Materials
Authors: Georgy Samsonidze, Boris Kozinsky
Institutions: Robert Bosch (United States), Harvard University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2884692769