{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Fan T"],"funding":["National Natural Science Foundation of China"],"pagination":["17168-17175"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9080444"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["8(31)"],"pubmed_abstract":["Mg<sub>2</sub>X<sup>IV</sup> (X<sup>IV</sup> = Si, Ge, Sn) compounds are semiconductors and their solid solutions are believed to be promising mid-temperature thermoelectric materials. By contrast, Mg<sub>2</sub>Pb is a metal and few studies have been conducted to investigate the thermoelectric properties of Mg<sub>2</sub>Si-Mg<sub>2</sub>Pb solid solutions. Here, we present a theoretical study exploring whether Mg<sub>2</sub>Pb-Mg<sub>2</sub>Si solid solutions can be used as thermoelectric materials or not. We firstly constructed several Mg<sub>2</sub>Si<sub>1-<i>x</i></sub> Pb <sub><i>x</i></sub> (0 ≤ <i>x</i> ≤ 1) structures and calculated their electronic structures. It is suggested that Mg<sub>2</sub>Si<sub>1-<i>x</i></sub> Pb <sub><i>x</i></sub> are potential thermoelectric semicondu"],"journal":["RSC advances"],"pubmed_title":["First-principles study of thermoelectric properties of Mg<sub>2</sub>Si-Mg<sub>2</sub>Pb semiconductor materials."],"pmcid":["PMC9080444"],"funding_grant_id":["51632007","51672218"],"pubmed_authors":["Wang S","Cheng L","Xie C","Oganov AR","Fan T"],"additional_accession":[]},"is_claimable":false,"name":"First-principles study of thermoelectric properties of Mg<sub>2</sub>Si-Mg<sub>2</sub>Pb semiconductor materials.","description":"Mg<sub>2</sub>X<sup>IV</sup> (X<sup>IV</sup> = Si, Ge, Sn) compounds are semiconductors and their solid solutions are believed to be promising mid-temperature thermoelectric materials. By contrast, Mg<sub>2</sub>Pb is a metal and few studies have been conducted to investigate the thermoelectric properties of Mg<sub>2</sub>Si-Mg<sub>2</sub>Pb solid solutions. Here, we present a theoretical study exploring whether Mg<sub>2</sub>Pb-Mg<sub>2</sub>Si solid solutions can be used as thermoelectric materials or not. We firstly constructed several Mg<sub>2</sub>Si<sub>1-<i>x</i></sub> Pb <sub><i>x</i></sub> (0 ≤ <i>x</i> ≤ 1) structures and calculated their electronic structures. It is suggested that Mg<sub>2</sub>Si<sub>1-<i>x</i></sub> Pb <sub><i>x</i></sub> are potential thermoelectric semicondu","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 May","modification":"2025-04-26T15:15:33.643Z","creation":"2025-02-19T03:24:50.915Z"},"accession":"S-EPMC9080444","cross_references":{"pubmed":["35539236"],"doi":["10.1039/c8ra02436g"]}}