Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Ultrahigh Power Factors in Ultrawide-Band-Gap GaB3N4and AlB3N4for High-Temperature Thermoelectric Applications Subject The topic of the resource Boltzmann transport equation; density functional theory; first-principles calculations; phonon scattering; thermoelectric properties Description An account of the resource With recent thermoelectric studies concentrating too much on low- and mid-temperature applications, an interesting question is, "are there any materials suitable for high-temperature thermoelectric operations?"To answer this, we have demonstrated in this work the viability of the ternary ultrawide-band-gap materials GaB3N4 and AlB3N4 for high-temperature thermoelectric applications using the first-principles calculation method. Our accurate transport calculations, considering both elastic and inelastic scattering mechanisms, reveal the ultrahigh power factors as high as 1821 ?W m-1 K-2 in GaB3N4 and 1876 ?W m-1 K-2 in AlB3N4 at 2000 K. The power factors are calculated from the Seebeck coefficients and electrical conductivities for both electron and hole carrier concentrations between 1018 and 1021 cm-3. For the figure-of-merit (ZT) calculation, the obtained power factors along with the electronic thermal conductivities determined from the definite Lorenz numbers and the lattice thermal conductivities from the phonon vibrations were used. The calculated ZT values seem to be appreciable for high-temperature applications considering the materials' stability factor and the temperature range within the optimum electron carrier concentration of 1021 cm-3. Although the lattice thermal conductivities are higher, which decrease the values of ZT, considering the ultrahigh power factors instead of the ZT factor could be the right choice for high-temperature thermoelectric applications. Creator An entity primarily responsible for making the resource Panneerselvam I.R.; Devi Kalathiparambil Rajendra Pai S.; Baldo C.; Rangaswamy N.; Sahasranaman M. Source A related resource from which the described resource is derived ACS Applied Electronic Materials, Vol-3, No. 1, pp. 219-229. Publisher An entity responsible for making the resource available American Chemical Society Date A point or period of time associated with an event in the lifecycle of the resource 2021-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1021/acsaelm.0c00777" target="_blank" rel="noreferrer noopener">https://doi.org/10.1021/acsaelm.0c00777</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099082010&amp;doi=10.1021%2Facsaelm.0c00777&amp;partnerID=40&amp;md5=e3ec956a8b636e786e4a697655cf05bb" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099082010&amp;doi=10.1021%2facsaelm.0c00777&amp;partnerID=40&amp;md5=e3ec956a8b636e786e4a697655cf05bb</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 26376113 Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Panneerselvam I.R., Young Scientist Training Program Fellow, Asia Pacific Center for Theoretical Physics, POSTECH Campus, Pohang, 37673, South Korea; Devi Kalathiparambil Rajendra Pai S., Department of Chemistry, CHRIST, Deemed to Be University, Bangalore, Karnataka, 560029, India; Baldo C., Young Scientist Training Program Fellow, Asia Pacific Center for Theoretical Physics, POSTECH Campus, Pohang, 37673, South Korea, Department of Physics, Mapua University, Intramuros, Manila, 1002, Philippines; Rangaswamy N., Division of Physics, School of Advanced Sciences, Vellore Institute of Technology (VIT), Chennai Campus, Chennai, 600127, India; Sahasranaman M., Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology (VIT), Chennai Campus, Chennai, 600127, India