155 citations · 159 across the 7 of their papers we have counts for
8 papers · 1 filter
Electron and phonon interactions and transport in ultra-high-temperature ceramic ZrC
Thomas A. Mellan, Alex Aziz, Yi Xia +2
We have simulated the ultra-high-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our p…
Phonon-pump electronic-probe study of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices
Peijun Guo, Arun Mannodi-Kanakkithodi, Jue Gong +10
Organic-inorganic hybrid perovskites such as methylammonium lead iodide (CH3NH3PbI3) are game-changing semiconductors for solar cells and light-emitting devices owing to their exce…
Anharmonic stabilization and lattice heat transport in rocksalt -GeTe
Yi Xia, Maria K. Y. Chan
Peierls-Boltzmann transport equation, coupled with third-order anharmonic lattice dynamics calculations, has been widely used to model lattice thermal conductivity () in bul…
Thermoelectric Alchemy: Designing A Chemical Analog to PbTe with Intrinsic High Band Degeneracy and Low Lattice Thermal Conductivity
Jiangang He, Yi Xia, S. Shahab Naghavi +2
Improving the figure of merit of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the po…
Compressive sensing lattice dynamics. I. General formalism
Fei Zhou, Weston Nielson, Yi Xia +1
{\it Ab initio\} calculations have been successfully used for evaluating lattice dynamical properties of solids within the (quasi-)harmonic approximation (i.e., assuming non-intera…
Compressive sensing lattice dynamics. II. Efficient phonon calculations and long-range interactions
Fei Zhou, Babak Sadigh, Daniel Aberg +2
We apply the compressive sensing lattice dynamics (CSLD) method to calculate phonon dispersion for crystalline solids. While existing methods such as frozen phonon, small displacem…