【线上会议】碲化物（XTe, X=Hg, Cd, Zn）热导反常压应变行为的机理研究（欧阳滔）
<会议简介>计算材料线上研讨会（Computational Materials Online Seminar, CMOS）是一个以交流为目的非营利性的国际学术会议，以“开拓计算研究，促进材料发展”为宗旨，致力于服务从事计算材料研究的国内外相关人员，科学家和工程师。其涵盖的范围不仅包括材料学科，还包括物理、化学、生物、数学和工程等交叉领域。CMOS采用国际学术会议标准，依托于互联网，基于专题组织者负责的小组在线讨论形式，突破传统会议的时间、地域限制，旨在为材料科学等领域的学术交流提供灵活的协作、讨论、交流环境，增进国内外学术同行的交流。该研讨会的使命是促进学术沟通，拓展科学研究。
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<报告人介绍>欧阳滔，博士，湘潭大学副教授，主要致力于低维纳米结构量子输运性质的研究。目前以第一作者或通信作者在Physical Review B，Applied Physics Letters，Nanotechnology等国际著名学术期刊上发表SCI论文10余篇。现担当Carbon, Physical Chemistry Chemical Physics, RSC Advances, Journal of Applied Physics等期刊的通讯评审人。主持国家自然科学基金青年项目和国际（地区）合作项目各一项，湖南省科技厅和教育厅自然科学基金项目各一项，并作为骨干成员参了教育部重大科技培育项目以及多项国家自然科学基金和湖南省自然科学基金的研究。近年来在碳纳米结构热传导及能量转换方面的研究成果引起了国内外同行的广泛关注和重视，学术论文被国内外同行引用400余次。
个人主页：http://yjs.xtu.edu.cn/gmis/dsgl/dsfc.aspx?id=0675318BC0E1A67F68BCA73B62518D3B
联系邮箱：ouyangtao@xtu.edu.cn
<报告简介>报告摘要：Effectively engineering the lattice thermal conductivity of materials is the key in current thermal science community. Pressure or compressive strain is one of the most worthwhile processes to modify the thermal transport property of materials, due to its robust tunability and flexibility to realize. While it is well documented in literature that the application of hydrostatic pressure normally increases the thermal conductivity of bulk materials, little work has been performed on abnormal pressure dependent thermal conductivity and the governing mechanism has not been fully understood yet. In this paper, taking bulk telluride systems XTe (X = Hg, Cd, Zn) as examples, we show, by combining first-principle calculation and phonon Boltzmann transport equation, that the thermal conductivity presents diverse pressure dependence although they belong to the same group. The thermal conductivity of ZnTe is independent of pressure, while abnormal negative pressure dependence of thermal conductivity is observed in HgTe. As for CdTe, the trend falls in between HgTe and ZnTe and relies largely on the temperature. By comparing the key contributors of the lattice thermal conductivity, we find that the diverse pressure dependence of the lattice thermal conductivity is governed by the competition between the enhancement of group velocity of longitudinal acoustic and optic modes and the reduction of phonon relaxation time of transverse acoustic modes, with both effects being fully quantified by our calculation. Comparison with traditional bulk systems like silicon further underpins the governing mechanism. The correlation between the diverse thermal transport phenomena and the nature of the atomic bonding is also qualitatively established. These findings are expected to deepen our understanding of manipulating phonon transport of bulk materials via simple compressive strain and are also helpful for related applications, such as optimizing thermoelectric performance.
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