{"title":"通过可逆电荷密度波熔化实现 TiSe2 中的声子传输操纵","authors":"Martí Raya-Moreno, Claudio Cazorla, Enric Canadell, Riccardo Rurali","doi":"10.1038/s41699-024-00501-9","DOIUrl":null,"url":null,"abstract":"Titanium diselenide (TiSe2) is a layered material that under a critical temperature of Tc ≈ 200 K features a periodic modulation of the electron density, known as charge density wave (CDW), which finds applications in quantum information and emerging electronic devices. Here, we present first-principles calculations showing the suppression of the CDW via photoexcitation and consequent stabilization of the undistorted high-temperature phase, in agreement with experimental observations. Interestingly, the unfolded CDW melting is accompanied by a sizable reduction in the thermal conductivity, κ, of up to 25% and a large entropy increase of ~10 J K−1 kg−1. The significant κ variation is almost entirely originated from photoinduced changes in the phonon–phonon scattering processes involving a high-symmetry soft phonon mode. Our results open new possibilities in the design of devices for thermal management and phonon-based logic, and suggest original applications in the of context solid-state cooling.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.1000,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00501-9.pdf","citationCount":"0","resultStr":"{\"title\":\"Phonon transport manipulation in TiSe2 via reversible charge density wave melting\",\"authors\":\"Martí Raya-Moreno, Claudio Cazorla, Enric Canadell, Riccardo Rurali\",\"doi\":\"10.1038/s41699-024-00501-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Titanium diselenide (TiSe2) is a layered material that under a critical temperature of Tc ≈ 200 K features a periodic modulation of the electron density, known as charge density wave (CDW), which finds applications in quantum information and emerging electronic devices. Here, we present first-principles calculations showing the suppression of the CDW via photoexcitation and consequent stabilization of the undistorted high-temperature phase, in agreement with experimental observations. Interestingly, the unfolded CDW melting is accompanied by a sizable reduction in the thermal conductivity, κ, of up to 25% and a large entropy increase of ~10 J K−1 kg−1. The significant κ variation is almost entirely originated from photoinduced changes in the phonon–phonon scattering processes involving a high-symmetry soft phonon mode. Our results open new possibilities in the design of devices for thermal management and phonon-based logic, and suggest original applications in the of context solid-state cooling.\",\"PeriodicalId\":19227,\"journal\":{\"name\":\"npj 2D Materials and Applications\",\"volume\":\" \",\"pages\":\"1-9\"},\"PeriodicalIF\":9.1000,\"publicationDate\":\"2024-09-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.nature.com/articles/s41699-024-00501-9.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"npj 2D Materials and Applications\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.nature.com/articles/s41699-024-00501-9\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"npj 2D Materials and Applications","FirstCategoryId":"88","ListUrlMain":"https://www.nature.com/articles/s41699-024-00501-9","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Phonon transport manipulation in TiSe2 via reversible charge density wave melting
Titanium diselenide (TiSe2) is a layered material that under a critical temperature of Tc ≈ 200 K features a periodic modulation of the electron density, known as charge density wave (CDW), which finds applications in quantum information and emerging electronic devices. Here, we present first-principles calculations showing the suppression of the CDW via photoexcitation and consequent stabilization of the undistorted high-temperature phase, in agreement with experimental observations. Interestingly, the unfolded CDW melting is accompanied by a sizable reduction in the thermal conductivity, κ, of up to 25% and a large entropy increase of ~10 J K−1 kg−1. The significant κ variation is almost entirely originated from photoinduced changes in the phonon–phonon scattering processes involving a high-symmetry soft phonon mode. Our results open new possibilities in the design of devices for thermal management and phonon-based logic, and suggest original applications in the of context solid-state cooling.
期刊介绍:
npj 2D Materials and Applications publishes papers on the fundamental behavior, synthesis, properties and applications of existing and emerging 2D materials. By selecting papers with the potential for impact, the journal aims to facilitate the transfer of the research of 2D materials into wide-ranging applications.