78 citations · 605 across the 17 of their papers we have counts for
17 papers
Electron-phonon scattering and thermoelectric transport in -type PbTe from first principles
Ransell D'Souza, Jiang Cao, José D. Querales-Flores +2
We present a first principles based model of electron-phonon scattering mechanisms and thermoelectric transport at the L and valleys in <200b>-type PbTe, accounting for thei…
Towards temperature-induced topological phase transition in SnTe: A first principles study
José D. Querales-Flores, Pablo Aguado-Puente, Đorđe Dangić +6
The temperature renormalization of the bulk band structure of a topological crystalline insulator, SnTe, is calculated using first principles methods. We explicitly include the eff…
Thermally induced band gap increase and high thermoelectric figure of merit of n-type PbTe
Jiang Cao, José D. Querales-Flores, Stephen Fahy +1
Unlike in many other semiconductors, the band gap of PbTe increases considerably with temperature. We compute the thermoelectric transport properties of n-type PbTe from first prin…
Dimensionality and heat transport in Si-Ge superlattices
Ivana Savić, Davide Donadio, Francois Gygi +1
We investigated how dimensionality affects heat transport in Si-Ge superlattices by computing the thermal conductivity of planar superlattices and arrays of Ge nanowires and nanodo…
Broadband Phonon Scattering in PbTe-based Materials Driven Near the Ferroelectric Phase Transition by Strain or Alloying
Ronan M. Murphy, Éamonn D. Murray, Stephen Fahy +1
The major obstacle in the design of materials with low lattice thermal conductivity is the difficulty in efficiently scattering phonons across the entire frequency spectrum. Using…
Dominant electron-phonon scattering mechanisms in -type PbTe from first principles
Jiang Cao, Jose D. Querales-Flores, Aoife R. Murphy +2
We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in -type PbTe. We develop an electronic transport model based on the Boltzmann…