The relation between the atomic mass ratio and quartic anharmonicity in alkali metal hydrides

Feng，Minxuan1; Wang，Xiaoying1; Zhu，Guimei2; He，Cheng1; Sun，Jun1; Ding，Xiangdong1; Shiomi，Junichiro3; Xia，Yi4; Li，Baowen5; Gao，Zhibin1

2024-05-01

10.1016/j.mtphys.2024.101423

Materials Today Physics   影响因子和分区

2542-5293

Phonons play a crucial role in understanding various aspects of solid-state physics, including thermal expansion, phase transition, interfacial thermal resistance, and lattice thermal conductivity (κ). Usually, the three-phonon (3ph) scattering processes have been considered the dominant mechanism governing thermal transport in solids. However, recent studies have revealed that quartic anharmonicity can fill the gap between theoretical calculations based on 3ph interactions and experimental values in a range of materials, such as BAs, perovskite CsPbBr, and thermoelectric PbTe. Typically, the vibration frequency of phonons is proportional to the inverse square root of the atomic mass. Some semiconductors with heavy atoms have a big mass ratio which leads to a gap between acoustic and optical phonon modes. This phenomenon concurrently suppresses 3ph scattering. The influence of 4ph scattering on κ becomes more important. We investigate the relation between the atomic mass ratio and quartic anharmonicity using rocksalt alkali metal hydrides XH (X = Li, Na, K, Rb, Cs). Our finding reveals a positive correlation between the atomic mass ratio and quartic anharmonicity.

SCI ; EI

英语

其他

2-s2.0-85190873450

Scopus

1.State Key Laboratory for Mechanical Behavior of Materials,Xi'an Jiaotong University,Xi'an,710049,China
2.School of Microelectronics,Southern University of Science and Technology,Shenzhen,518055,China
3.Department of Mechanical Engineering,The University of Tokyo,Tokyo,113-8656,Japan
4.Department of Mechanical and Materials Engineering,Portland State University,Portland,97201,United States
5.Department of Materials Science and Engineering,Department of Physics. Southern University of Science and Technology,Shenzhen,518055,China

Feng，Minxuan,Wang，Xiaoying,Zhu，Guimei,et al. The relation between the atomic mass ratio and quartic anharmonicity in alkali metal hydrides[J]. Materials Today Physics,2024,44.

Feng，Minxuan.,Wang，Xiaoying.,Zhu，Guimei.,He，Cheng.,Sun，Jun.,...&Gao，Zhibin.(2024).The relation between the atomic mass ratio and quartic anharmonicity in alkali metal hydrides.Materials Today Physics,44.

Feng，Minxuan,et al."The relation between the atomic mass ratio and quartic anharmonicity in alkali metal hydrides".Materials Today Physics 44(2024).