Origins of ultra-low thermal transport in giant anharmonic SnSe and their applications in thermoelectric materials engineering

Dr Chen, Yue   (Principal Investigator (PI))

36

2016-09-01

618470

Origins of ultra-low thermal transport in giant anharmonic SnSe and their applications in thermoelectric materials engineering

Ab initio calculation, Density functional theory, First principle calculation, Thermoelectric compounds

Materials

Engineering (E)

27202516

Early Career Scheme (ECS)

2016

Completed

1) To understand the anomalously low thermal conductivity of single crystal SnSe and resolve current discrepancy between theory and experiment via the development of slave-mode expansions, which will be equally applicable to other orthorhombic IV-VI thermoelectric compounds, facilitating future studies on their thermal transports; 2) To unveil the origins of alloying effects on the transport properties of SnSe through thorough theoretical and experimental investigations, which will pave the way for alloying engineering of distorted rock-salt IV-VI thermoelectric compounds.