{"title":"High-pressure structural stability and pressure-tuned optical and electronic transport properties of Sc2S3","authors":"Tongtong Yang, Fenglei Li, Ping Ning, Yixuan Ma, Zhiyang Zhang, Guangtao Liu, Hongbo Wang, Haihua Wang, Mi Zhou","doi":"10.1016/j.cplett.2025.142343","DOIUrl":null,"url":null,"abstract":"<div><div>Rare-earth sesquisulfides (<em>Re</em><sub>2</sub>S<sub>3</sub>), a class of wide-bandgap semiconductors, exhibit remarkable optical and electrical properties, along with high melting points and excellent mechanical hardness, making them promising candidates for applications in pigments, thermoelectrics, and infrared optoelectronics. Among their multiple polymorphs, the <em>φ</em>-phase (orthorhombic, <em>Fddd</em>) represents a structurally complex yet understudied configuration, especially under high-pressure conditions. In this work, we present a comprehensive investigation of the pressure-induced structural, optical, and electrical evolution of <em>φ</em>-Sc<sub>2</sub>S<sub>3</sub>, a prototypical rare-earth sesquisulfide. These findings shed light on the structure–property relationships of rare-earth chalcogenides and underscore the potential of <em>φ</em>-Sc<sub>2</sub>S<sub>3</sub> for extreme-condition optoelectronic applications.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"878 ","pages":"Article 142343"},"PeriodicalIF":3.1000,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics Letters","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009261425004853","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Rare-earth sesquisulfides (Re2S3), a class of wide-bandgap semiconductors, exhibit remarkable optical and electrical properties, along with high melting points and excellent mechanical hardness, making them promising candidates for applications in pigments, thermoelectrics, and infrared optoelectronics. Among their multiple polymorphs, the φ-phase (orthorhombic, Fddd) represents a structurally complex yet understudied configuration, especially under high-pressure conditions. In this work, we present a comprehensive investigation of the pressure-induced structural, optical, and electrical evolution of φ-Sc2S3, a prototypical rare-earth sesquisulfide. These findings shed light on the structure–property relationships of rare-earth chalcogenides and underscore the potential of φ-Sc2S3 for extreme-condition optoelectronic applications.
期刊介绍:
Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.
Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.