Thermal conductivity in intermetallic clathrates: A first principles perspective

Daniel O. Lindroth, Joakim Brorsson, Erik Fransson +3

Inorganic clathrates such as Ba${}_8$Ga${}_x$Ge${}_{46-x}$ and Ba${}_8$Al${}_x$Si${}_{46-x}$ commonly exhibit very low thermal conductivities. A quantitative computational description of t…