Soft-mode dynamics in the ferroelectric phase transition of GeTe

Extended anharmonic collapse of phonon dispersions in SnS and SnSe

(2020) T. Lanigan-Atkins et al.   Nature Communications

Manipulation of Phonon Transport in Thermoelectrics

(2018) Zhiwei Chen et al.   ADVANCED MATERIALS

A density functional theory parameterised neural network model of zirconia

(2018) Chen Wang et al.   MOLECULAR SIMULATION

Structural disorder in the high-temperature cubic phase of GeTe

(2018) Ming Xu et al.   RSC Advances

Anharmonic stabilization and lattice heat transport in rocksalt β-GeTe

(2018) Yi Xia et al.   APPLIED PHYSICS LETTERS

High-Performance GeTe Thermoelectrics in Both Rhombohedral and Cubic Phases

(2018) Juan Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamics of the phase-change material GeTe across the structural phase transition

(2018) T. Chatterji et al.   Frontiers of Physics

An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO 2

(2016) Nongnuch Artrith et al.   COMPUTATIONAL MATERIALS SCIENCE

Amp : A modular approach to machine learning in atomistic simulations

(2016) Alireza Khorshidi et al.   COMPUTER PHYSICS COMMUNICATIONS

Anomalous temperature-induced volume contraction in GeTe

(2015) Tapan Chatterji et al.   PHYSICAL REVIEW B

Self-consistent phonon calculations of lattice dynamical properties in cubicSrTiO3with first-principles anharmonic force constants

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW B

Soft-phonon mediated structural phase transition in GeTe

(2014) Urszula D. Wdowik et al.   PHYSICAL REVIEW B

Dynamic stabilization of cubicCaSiO3perovskite at high temperatures and pressures fromab initiomolecular dynamics

(2014) Tao Sun et al.   PHYSICAL REVIEW B

Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides

(2014) Ion Errea et al.   PHYSICAL REVIEW B

First-Principles Approach to Nonlinear Lattice Dynamics: Anomalous Spectra in PbTe

(2014) Yue Chen et al.   PHYSICAL REVIEW LETTERS

Phonon Quasiparticles and Anharmonic Free Energy in Complex Systems

(2014) Dong-Bo Zhang et al.   PHYSICAL REVIEW LETTERS

Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics

(2014) C. W. Li et al.   PHYSICAL REVIEW LETTERS

DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data

(2012) Richard Tumanjong Azuah et al.   JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY

High-dimensional neural network potentials for metal surfaces: A prototype study for copper

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Neural network interatomic potential for the phase change material GeTe

(2012) Gabriele C. Sosso et al.   PHYSICAL REVIEW B

Peierls distortion mediated reversible phase transition in GeTe under pressure

(2012) Z. Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The order-disorder transition in GeTe: Views from different length-scales

(2011) T. Matsunaga et al.   APPLIED PHYSICS LETTERS

Perspectives on thermoelectrics: from fundamentals to device applications

(2011) M. Zebarjadi et al.   Energy & Environmental Science

Size-Dependent Polar Ordering in Colloidal GeTe Nanocrystals

(2011) Mark J. Polking et al.   NANO LETTERS

Giant anharmonic phonon scattering in PbTe

(2011) O. Delaire et al.   NATURE MATERIALS

Study of the ferroelectric phase transition in germanium telluride using time-domain terahertz spectroscopy

(2011) Filip Kadlec et al.   PHYSICAL REVIEW B

Phonon quasiparticles and anharmonic perturbation theory tested by molecular dynamics on a model system

(2010) Tao Sun et al.   PHYSICAL REVIEW B

Charge-optimized many-body potential for the hafnium/hafnium oxide system

(2010) Tzu-Ray Shan et al.   PHYSICAL REVIEW B

Phase transition in crystalline GeTe: Pitfalls of averaging effects

(2010) Paul Fons et al.   PHYSICAL REVIEW B

Lattice dynamics and specific heat ofα-GeTe: Theoretical and experimental study

(2009) R. Shaltaf et al.   PHYSICAL REVIEW B

Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems

(2008) Lon E. Bell   SCIENCE

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE