Ferroelectric phase transition and the lattice thermal conductivity of Pb1−xGexTe alloys

We show how tuning the proximity to the soft optical mode phase transition via chemical composition affects the lattice thermal conductivity κ of Pb1−xGexTe alloys. Using first-principles virtual-crystal simulations, we find that the anharmonic contribution to κ is minimized at the phase transition...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical review. B 2017-04, Vol.95 (14), p.144302
Hauptverfasser:	Murphy, Ronan M, Murray, Éamonn D, Fahy, Stephen, Savić, Ivana
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity Atomic properties Bonding strength Chemical composition Crystal lattices Ferroelectric materials Ferroelectricity First principles Heat conductivity Heat transfer Organic chemistry Phase transitions Thermal conductivity
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!