State Key Laboratory of Superlattices and Microstructures;
Institute of Semiconductors;
Chinese Academy of Sciences;
Beijing 100083;
China;
Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education;
Key Laboratory for Matter Microstructure and Function of Hunan Province;
Synergetic Innovation Center for Quantum Effects and Applications;
Department of Physics;
Hunan Normal University;
Changsha 410081;
China;
Center of Materials Science and Optoelectronics Engineering;
University of Chinese Academy of Sciences;
Beijing 100049;
China;
Beijing Computational Science Research Center;
Beijing 100193;
China;
anharmonicity; copper-based semiconductor; electronic structure; thermal conductivity;