activity
20152023
most citedDominant electron-phonon scattering mechanisms in -type PbTe from first principles

78 citations · 294 across the 13 of their papers we have counts for

collaborators

12 papers

cond-mat.mtrl-sci2023

Ultrafast measurements of mode-specific deformation potentials of BiTe and BiSe

Yijing Huang, José D. Querales-Flores, Samuel W. Teitelbaum +24

Quantifying electron-phonon interactions for the surface states of topological materials can provide key insights into surface-state transport, topological superconductivity, and p…

cond-mat.mtrl-sci2022★ 12 cited

Influence of local symmetry on lattice dynamics coupled to topological surface states

Jonathan A. Sobota, Samuel W. Teitelbaum, Yijing Huang +18

We investigate coupled electron-lattice dynamics in the topological insulator Bi2Te3 with time-resolved photoemission and time-resolved x-ray diffraction. It is well established th…

cond-mat.mtrl-sci2022★ 15 cited

Temperature induced band convergence, intervalley scattering and thermoelectric transport in p-type PbTe

Ransell D'Souza, José D. Querales-Flores, Jiang Cao +2

Achieving high valley degeneracy (i.e. "band convergence") in a material usually results in considerably enhanced thermoelectric properties. However, it is still unclear why this s…

cond-mat.mtrl-sci2021★ 9 cited

Electron-phonon coupling and electronic thermoelectric properties of n-type PbTe driven near the soft-mode phase transition via lattice expansion

Jiang Cao, Đorđe Dangić, José D. Querales-Flores +2

IV-VI materials are some of the most efficient bulk thermoelectric materials due to their proximity to soft-mode phase transitions, which leads to low lattice thermal conductivity.…

cond-mat.mtrl-sci2020★ 66 cited

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…

cond-mat.mtrl-sci2020★ 14 cited

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…

cond-mat.mtrl-sci2019★ 21 cited

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…

cond-mat.mtrl-sci2019★ 20 cited

Ultrafast relaxation of symmetry-breaking photo-induced atomic forces

Shane M. O'Mahony, Felipe Murphy-Armando, Éamonn D. Murray +3

We present a first-principles method for the calculation of the temperature-dependent relaxation of symmetry-breaking atomic driving forces in photoexcited systems. We calculate th…

cond-mat.mes-hall2018★ 78 cited

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…

cond-mat.mtrl-sci2018★ 37 cited

Temperature effects on the electronic band structure of PbTe from first principles

José D. Querales-Flores, Jiang Cao, Stephen Fahy +1

We report a fully {\it ab-initio} calculation of the temperature dependence of the electronic band structure of PbTe. We address two main features relevant for the thermoelectric f…

cond-mat.mtrl-sci2018★ 7 cited

Effect of N interstitial complexes on the electronic properties of GaAsN alloys from first principles

J. D. Querales-Flores, C. I. Ventura, J. D. Fuhr

Several approaches have been used to investigate the impact of Nitrogen (N) on the electronic structure of GaAsN alloys, however, there is no agreement between theory…

cond-mat.str-el2015★ 1 cited

Normal state electronic properties of LaOFBiS superconductors

J. D. Querales Flores, C. I. Ventura, R. Citro +1

A good description of the electronic structure of BiS-based superconductors is essential to understand their phase diagram, normal state and superconducting properties. To de…