The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe

Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe

(2019) Unai Aseginolaza et al.   PHYSICAL REVIEW LETTERS

Stacking Fault-Induced Minimized Lattice Thermal Conductivity in the High-Performance GeTe-Based Thermoelectric Materials upon Bi2Te3 Alloying

(2019) Junqin Li et al.   ACS Applied Materials & Interfaces

Unified theory of thermal transport in crystals and glasses

(2019) Michele Simoncelli et al.   Nature Physics

Superior performance and high service stability for GeTe-based thermoelectric compounds

(2019) Tong Xing et al.   National Science Review

Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach

(2019) Leyla Isaeva et al.   Nature Communications

Features of the High-Temperature Structural Evolution of GeTe Thermoelectric Probed by Neutron and Synchrotron Powder Diffraction

(2019) Javier Gainza et al.   Metals

Ferroelectric Control of the Spin Texture in GeTe

(2018) Christian Rinaldi et al.   NANO LETTERS

Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping

(2018) Zihang Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

3D charge and 2D phonon transports leading to high out-of-planeZTin n-type SnSe crystals

(2018) Cheng Chang et al.   SCIENCE

Germanium Chalcogenide Thermoelectrics: Electronic Structure Modulation and Low Lattice Thermal Conductivity

(2018) Subhajit Roychowdhury et al.   CHEMISTRY OF MATERIALS

Anharmonic stabilization and lattice heat transport in rocksalt β-GeTe

(2018) Yi Xia et al.   APPLIED PHYSICS LETTERS

Spin-resolved electronic structure of ferroelectric α-GeTe and multiferroic Ge 1−x Mn x Te

(2017) J. Krempaský et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Inverting polar domains via electrical pulsing in metallic germanium telluride

(2017) Pavan Nukala et al.   Nature Communications

Direct measurement of individual phonon lifetimes in the clathrate compound Ba7.81Ge40.67Au5.33

(2017) Pierre-François Lory et al.   Nature Communications

Simultaneous Optimization of Carrier Concentration and Alloy Scattering for Ultrahigh Performance GeTe Thermoelectrics

(2017) Juan Li et al.   Advanced Science

The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling

(2016) Manoj K. Jana et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rationally Designing High-Performance Bulk Thermoelectric Materials

(2016) Gangjian Tan et al.   CHEMICAL REVIEWS

Recent developments in the ABINIT software package

(2016) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Unravelling the Domain Structures in GeTe and LaAlO3

(2016) Paul A. Vermeulen et al.   CRYSTAL GROWTH & DESIGN

Herringbone structure in GeTe-based thermoelectric materials

(2015) Ho Seong Lee et al.   ACTA MATERIALIA

Giant Rashba-Type Spin Splitting in Ferroelectric GeTe(111)

(2015) Marcus Liebmann et al.   ADVANCED MATERIALS

High Thermoelectric Performance and Enhanced Mechanical Stability of p-type Ge1–xSbxTe

(2015) Suresh Perumal et al.   CHEMISTRY OF MATERIALS

Better thermoelectrics through glass-like crystals

(2015) Matt Beekman et al.   NATURE MATERIALS

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

(2015) Yinglu Tang et al.   NATURE MATERIALS

Orbitally driven giant phonon anharmonicity in SnSe

(2015) C. W. Li et al.   Nature Physics

Anomalous temperature-induced volume contraction in GeTe

(2015) Tapan Chatterji et al.   PHYSICAL REVIEW B

Thermal conductivity in PbTe from first principles

(2015) A. H. Romero et al.   PHYSICAL REVIEW B

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

Phonon thermal transport inBi2Te3from first principles

(2014) Olle Hellman et al.   PHYSICAL REVIEW B

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

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

Thermoelectrics with earth abundant elements: low thermal conductivity and high thermopower in doped SnS

(2014) Qing Tan et al.   Journal of Materials Chemistry A

Temperature dependent effective potential method for accurate free energy calculations of solids

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Temperature-dependent effective third-order interatomic force constants from first principles

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

Electric Control of the Giant Rashba Effect in Bulk GeTe

(2012) Domenico Di Sante et al.   ADVANCED MATERIALS

High-performance bulk thermoelectrics with all-scale hierarchical architectures

(2012) Kanishka Biswas et al.   NATURE

Microscopic mechanism of low thermal conductivity in lead telluride

(2012) Takuma Shiga et al.   PHYSICAL REVIEW B

Tellurium-Free Thermoelectric: The Anisotropic n-Type Semiconductor Bi2S3

(2012) Kanishka Biswas et al.   Advanced Energy Materials

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

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

Controlled Synthesis and Size-Dependent Polarization Domain Structure of Colloidal Germanium Telluride Nanocrystals

(2011) Mark J. Polking et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

Nanostructured Thermoelectrics: Big Efficiency Gains from Small Features

(2010) Christopher J. Vineis et al.   ADVANCED MATERIALS

Phase transition in crystalline GeTe: Pitfalls of averaging effects

(2010) Paul Fons et al.   PHYSICAL REVIEW B

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermal and Electrical Conductivity of Size-Tuned Bismuth Telluride Nanoparticles

(2009) Matthew R. Dirmyer et al.   Small

Ba8Ga16Sn30 with type-I clathrate structure: Drastic suppression of heat conduction

(2008) M. A. Avila et al.   APPLIED PHYSICS LETTERS

Avoided crossing of rattler modes in thermoelectric materials

(2008) Mogens Christensen et al.   NATURE MATERIALS