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Theory of thermoelectricity in MgSb with an energy- and temperature-dependent relaxation time
Roberta Farris, Maria Barbara Maccioni, Alessio Filippetti +1
We study the electronic transport coefficients and the thermoelectric figure of merit ZT in -doped MgSb based on density-functional electronic structure and Bloch-Boltzm…
Ab initio thermal conductivity of thermoelectric MgSb: evidence for dominant extrinsic effects
Maria Barbara Maccioni, Roberta Farris, Vincenzo Fiorentini
The lattice thermal conductivity of the candidate thermoelectric material MgSb is studied from first principles, with the inclusion of anharmonic, isotope, and boundary sca…
Meta-screening and permanence of polar distortion in metallized ferroelectrics
Hong Jian Zhao, Alessio Filippetti, Carlos Escorihuela-Sayalero +5
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortions in the presence of free charge is the key to the physics of metallized…