Joris More-Chevalier , Urszula D. Wdowik , Jiří Martan , Xavier Portier , Stanislav Cichoň , Esther de Prado , Petr Levinský , Ladislav Fekete , Jan Pokorný , Dejan Prokop , Petr Hruška , Markéta Jarošová , Jan Kejzlar , Dominik Legut , Michal Novotný , Ján Lančok
{"title":"铌扩散驱动掺杂提高scn基多层膜热电效率","authors":"Joris More-Chevalier , Urszula D. Wdowik , Jiří Martan , Xavier Portier , Stanislav Cichoň , Esther de Prado , Petr Levinský , Ladislav Fekete , Jan Pokorný , Dejan Prokop , Petr Hruška , Markéta Jarošová , Jan Kejzlar , Dominik Legut , Michal Novotný , Ján Lančok","doi":"10.1016/j.apsadv.2025.100821","DOIUrl":null,"url":null,"abstract":"<div><div>The thermoelectric properties of ScN/Sc<sub>1-x</sub>Nb<sub>x</sub>N multilayers deposited on MgO (001) substrates were studied using a combined experimental and theoretical approach based on density functional theory. Four ScN/Sc<sub>1-x</sub>Nb<sub>x</sub>N multilayers with varying doped layer thicknesses were produced, resulting in an overall Nb atomic percentage in the samples of 0.4 %, 1.2 %, 1.8 %, and 4.8 %, respectively. Structural characterization confirmed the epitaxial growth of multilayers with sharp interfaces. Raman spectroscopy revealed a redshift of optical phonon modes with increasing Nb concentration. Temperature-dependent Raman measurements showed an irregular shift in transverse optical (TO) modes, while longitudinal optical (LO) modes experienced a blueshift, indicating complex phonon dynamics influenced by temperature and multilayer structure. Thermoelectric measurements indicated an increase in the Seebeck coefficient and a decrease in thermal conductivity with Nb-doped ScN interlayers. The figure of merit (ZT) potentially increased to over 0.3. This improvement highlights the potential of this approach for enhancing the thermoelectric performance of scandium nitride.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100821"},"PeriodicalIF":8.7000,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Thermoelectric efficiency enhancement in ScN-based multilayers by Nb diffusion-driven doping\",\"authors\":\"Joris More-Chevalier , Urszula D. Wdowik , Jiří Martan , Xavier Portier , Stanislav Cichoň , Esther de Prado , Petr Levinský , Ladislav Fekete , Jan Pokorný , Dejan Prokop , Petr Hruška , Markéta Jarošová , Jan Kejzlar , Dominik Legut , Michal Novotný , Ján Lančok\",\"doi\":\"10.1016/j.apsadv.2025.100821\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The thermoelectric properties of ScN/Sc<sub>1-x</sub>Nb<sub>x</sub>N multilayers deposited on MgO (001) substrates were studied using a combined experimental and theoretical approach based on density functional theory. Four ScN/Sc<sub>1-x</sub>Nb<sub>x</sub>N multilayers with varying doped layer thicknesses were produced, resulting in an overall Nb atomic percentage in the samples of 0.4 %, 1.2 %, 1.8 %, and 4.8 %, respectively. Structural characterization confirmed the epitaxial growth of multilayers with sharp interfaces. Raman spectroscopy revealed a redshift of optical phonon modes with increasing Nb concentration. Temperature-dependent Raman measurements showed an irregular shift in transverse optical (TO) modes, while longitudinal optical (LO) modes experienced a blueshift, indicating complex phonon dynamics influenced by temperature and multilayer structure. Thermoelectric measurements indicated an increase in the Seebeck coefficient and a decrease in thermal conductivity with Nb-doped ScN interlayers. The figure of merit (ZT) potentially increased to over 0.3. This improvement highlights the potential of this approach for enhancing the thermoelectric performance of scandium nitride.</div></div>\",\"PeriodicalId\":34303,\"journal\":{\"name\":\"Applied Surface Science Advances\",\"volume\":\"29 \",\"pages\":\"Article 100821\"},\"PeriodicalIF\":8.7000,\"publicationDate\":\"2025-08-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Surface Science Advances\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2666523925001291\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Surface Science Advances","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2666523925001291","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Thermoelectric efficiency enhancement in ScN-based multilayers by Nb diffusion-driven doping
The thermoelectric properties of ScN/Sc1-xNbxN multilayers deposited on MgO (001) substrates were studied using a combined experimental and theoretical approach based on density functional theory. Four ScN/Sc1-xNbxN multilayers with varying doped layer thicknesses were produced, resulting in an overall Nb atomic percentage in the samples of 0.4 %, 1.2 %, 1.8 %, and 4.8 %, respectively. Structural characterization confirmed the epitaxial growth of multilayers with sharp interfaces. Raman spectroscopy revealed a redshift of optical phonon modes with increasing Nb concentration. Temperature-dependent Raman measurements showed an irregular shift in transverse optical (TO) modes, while longitudinal optical (LO) modes experienced a blueshift, indicating complex phonon dynamics influenced by temperature and multilayer structure. Thermoelectric measurements indicated an increase in the Seebeck coefficient and a decrease in thermal conductivity with Nb-doped ScN interlayers. The figure of merit (ZT) potentially increased to over 0.3. This improvement highlights the potential of this approach for enhancing the thermoelectric performance of scandium nitride.
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