Alloying Reversed Anisotropy of Thermal Transport in Bulk Al0.5Ga0.5N

• Published in: The journal of physical chemistry letters 2023-11, Vol.14 (43), p.9746-9757
• Main Authors: Chen, Ailing, Wei, Donghai, Xu, Jinyuan, Li, Aonan, Wang, Huimin, Qin, Zhenzhen, Qin, Guangzhao
• Format: Article
• Language: English
• Subjects: Physical Insights into Materials and Molecular Properties
• ISSN: 1948-7185; 1948-7185
• DOI: 10.1021/acs.jpclett.3c02254

Anisotropic heat transfer is crucial for advanced thermal management in nanoelectronics, optoelectronics, thermoelectrics, etc. Traditional approaches modifying thermal conductivity (κ) mostly adjust the magnitude but disregard anisotropy. Herein, by solving the Boltzmann transport equation from first principles, we report κ anisotropy modulation by alloying gallium nitride (GaN) and aluminum nitride (AlN). The alloyed Al0.5Ga0.5N demonstrates reversed κ anisotropy compared to the parent materials, where the preferred thermal transport direction shifts from cross-plane to in-plane. Moreover, the κ anisotropy (κ in‑plane /κ cross‑plane ) in the Al0.5Ga0.5N alloy is enhanced to 1.63 and 1.51 times that in bulk GaN and AlN, respectively, which can be further enhanced by increased temperature. Deep analysis attributes the alloying reversed κ anisotropy of Al0.5Ga0.5N to the structure distortion-driven phonon group velocity, as well as phonon anharmonicity. The alloying reversed κ anisotropy as reported in this study sheds light on future studies in advanced heat dissipation and intelligent thermal management.