维普中文期刊产品整合服务
1篇 您的检索式:作者名="Olle Hellman"
    题名 作者 年代 出处 被引量
1The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe显示文摘The proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivityκ.However,theκof GeTe increases at the ferroelectric phase transition near 700 K.Using first-principles calculations with the temperature dependent effective potential method,we show that this rise inκis the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase.Strong anharmonicity near the phase transition induces non-Lorentzian shapes of the phonon power spectra.To account for these effects,we implement a method of calculatingκbased on the Green-Kubo approach and find that the Boltzmann transport equation underestimatesκnear the phase transition.Our findings elucidate the influence of structural phase transitions onκand provide guidance for design of better thermoelectric materials.Đorđe Dangić Olle Hellman Stephen Fahy Ivana Savić 2021npj Computational Materials2021,,1:0
返回顶部 每页显示:
共1页 首页 上一页 第1页 下一页 末页 /1 跳转

网站首页 | 关于我们 | 联系我们 | 产品服务 | 客服中心 | 广告服务 | 版权声明 | 网站联盟 | 友情链接 | 售卡网点

版权所有© 渝B2-20050021-1 渝公网安备 50019002500403号 违法和不良信息举报中心

互联网出版许可证 新出网证(渝)字10号 全国400电话 - 免长途话费