清晨好,您是今天最早来到科研通的研友!由于当前在线用户较少,发布求助请尽量完整地填写文献信息,科研通机器人24小时在线,伴您科研之路漫漫前行!

Antibonding valence states induce low lattice thermal conductivity in metal halide semiconductors

反键分子轨道 卤化物 半导体 价(化学) 金属 材料科学 凝聚态物理 热导率 格子(音乐) 化学 无机化学 物理 冶金 光电子学 原子轨道 复合材料 量子力学 声学 电子
作者
Mohammad Ubaid,Paribesh Acharyya,Suneet K. Maharana,Kanishka Biswas,Koushik Pal
出处
期刊:Applied physics reviews [American Institute of Physics]
卷期号:11 (4) 被引量:8
标识
DOI:10.1063/5.0227080
摘要

Reduction of phonon mediated thermal transport properties, i.e., lattice thermal conductivity (κL), of semiconductors can strongly affect the performance of thermoelectrics and optoelectronics. Although extrinsic routes to reduce κL have been achieved through selective scattering of phonons via doping, alloying, and hierarchical nano-structuring, semiconductors with intrinsically low κL have recently gained widespread attention due to their ability to decouple electronic and phonon transports. While innate low κL in crystalline semiconductors is a desired requirement to achieve high performance thermoelectrics, the solar upconversion efficiency of photovoltaics based on metal halide perovskites (MHPs) have been shown to increase due to their ultralow κL through the hot-phonon bottleneck effect. Therefore, understanding the microscopic mechanisms underlying ultralow κL in crystalline semiconductors is extremely important. Several structural factors that are intrinsic to a material have been shown to strongly influence the reduction of κL. Among them, the presence of rattling atoms, lone-pair electrons, and large lattice anharmonicity have been widely studied. Here, we bring out yet another largely unexplored intrinsic characteristic of materials related to the filled antibonding valence states (AVS) near the Fermi level, which are shown to induce low κL in crystalline compounds. We focus our review on an emerging class of compounds–metal halide semiconductors including MHPs and investigate the interplay between structures, chemical bonding and κL, carefully curating from literature a list of 33 compounds having different structure dimensionality with known κL. We established a universal connection between the elastic moduli, speeds of sound, and κL with the presence of AVS just below the Fermi level. We found that large peak in the AVS correlates positively with lower values of elastic moduli, speeds of sound, and κL, providing antibonding states based design criteria of low-κL compounds. Furthermore, we discuss different synthesis strategies, which are crucial for experimental realization of ultralow κL through structure manipulation. Additionally, we outline how chemical bonding data can be utilized in machine learning models for predictive modeling of κL. We hope that our approach of understanding low-κL through the viewpoint of chemical bonding theory would encourage exploration of phonon transport properties in other families of materials having filled AVS that can provide further insights on the structure-bonding-property relationships aiding novel materials design approaches.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
10秒前
感动初蓝完成签到 ,获得积分10
33秒前
36秒前
43秒前
jerry完成签到 ,获得积分10
48秒前
1分钟前
1分钟前
1分钟前
neversay4ever完成签到 ,获得积分10
1分钟前
1分钟前
科研通AI6应助科研通管家采纳,获得10
1分钟前
1分钟前
1分钟前
1分钟前
2分钟前
2分钟前
TZMY完成签到,获得积分10
2分钟前
2分钟前
2分钟前
2分钟前
2分钟前
3分钟前
3分钟前
温如军完成签到 ,获得积分10
3分钟前
3分钟前
3分钟前
3分钟前
范ER完成签到 ,获得积分10
4分钟前
herpes完成签到 ,获得积分0
4分钟前
脑洞疼应助渣渣采纳,获得10
4分钟前
5分钟前
YifanWang完成签到,获得积分0
5分钟前
5分钟前
5分钟前
6分钟前
6分钟前
6分钟前
貔貅完成签到 ,获得积分10
6分钟前
6分钟前
7分钟前
高分求助中
(应助此贴封号)【重要!!请各用户(尤其是新用户)详细阅读】【科研通的精品贴汇总】 10000
FUNDAMENTAL STUDY OF ADAPTIVE CONTROL SYSTEMS 500
微纳米加工技术及其应用 500
Nanoelectronics and Information Technology: Advanced Electronic Materials and Novel Devices 500
Performance optimization of advanced vapor compression systems working with low-GWP refrigerants using numerical and experimental methods 500
Constitutional and Administrative Law 500
PARLOC2001: The update of loss containment data for offshore pipelines 500
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 纳米技术 计算机科学 内科学 化学工程 复合材料 物理化学 基因 遗传学 催化作用 冶金 量子力学 光电子学
热门帖子
关注 科研通微信公众号,转发送积分 5293133
求助须知:如何正确求助?哪些是违规求助? 4443412
关于积分的说明 13831150
捐赠科研通 4326975
什么是DOI,文献DOI怎么找? 2375214
邀请新用户注册赠送积分活动 1370555
关于科研通互助平台的介绍 1335258