78 citations · 259 across the 14 of their papers we have counts for
15 papers
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…
Ab initio Self-consistent GW Calculations in Non-Equilibrium Devices: Auger Recombination and Electron-Electron Scattering
Leonard Deuschle, Jonathan Backman, Mathieu Luisier +1
We present first-principles quantum transport simulations of single-walled carbon nanotubes based on the NEGF method and including carrier-carrier interactions within the self-cons…
Dynamics of van der Waals Charge Qubit in 2D Bilayers: Ab initio Quantum Transport and Qubit Measurement
Jiang Cao, Guido Gandus, Tarun Agarwal +2
A van der Waals (vdW) charge qubit, electrostatically confined within two-dimensional (2D) vdW materials, is proposed as building block of future quantum computers. Its characteris…
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…
Intrinsic subthermionic capabilities and high performance of easy-to-fabricate monolayer metal dihalide MOSFETs
Demetrio Logoteta, Jiang Cao, Marco Pala +2
We investigate the design of steep-slope metal-oxide-semiconductor field-effect transistors (MOSFETs) exploiting monolayers of transition metal dihalides as channel materials. With…
Dissipative Transport and Phonon Scattering Suppression via Valley Engineering in Single-Layer Antimonene and Arsenene Field-Effect Transistors
Jiang Cao, Yu Wu, Hao Zhang +3
Two-dimensional (2D) semiconductors are promising channel materials for next-generation field-effect transistors (FETs) thanks to their unique mechanical properties and enhanced el…
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.…
A cold-source paradigm for steep-slope transistors based on van der Waals heterojunctions
Demetrio Logoteta, Jiang Cao, Marco Pala +3
The availability of transistors capable of operating at low supply voltage is essential to improve the key performance metric of computing circuits, i.e., the number of operations…
Towards Accurate Predictions of Carrier Mobilities and Thermoelectric Performances in 2D Materials
Yu Wu, Bowen Hou, Ying Chen +9
The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical qu…
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…
Effects of intervalley scatterings in thermoelectric performance of band-convergent antimonene
Yu Wu, Bowen Hou, Congcong Ma +10
The strategy of band convergence of multi-valley conduction bands or multi-peak valence bands has been widely used to search or improve thermoelectric materials. However, the phono…
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…
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…
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…