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December 2013 |
High performance bulk thermoelectrics via a panoscopic approach
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May 2013 |
Anomalous Lattice Dynamics near the Ferroelectric Instability in PbTe
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October 2011 |
Rationally Designing High-Performance Bulk Thermoelectric Materials
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August 2016 |
Projector augmented-wave method
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December 1994 |
Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides
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June 2016 |
Outlier Treatment in Data Merging
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August 1997 |
Direct Observation of Lattice Polaron Formation in the Local Structure of La 1 − x Ca x MnO 3
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July 1996 |
Resonant bonding leads to low lattice thermal conductivity
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April 2014 |
All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance
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January 2013 |
The three-dimensional pair distribution function analysis of disordered single crystals: basic concepts
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May 2012 |
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
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March 2013 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
The self-consistent ab initio lattice dynamical method
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January 2009 |
Dynamic Stereochemical Activity of the Sn 2+ Lone Pair in Perovskite CsSnBr 3
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September 2016 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Entropically Stabilized Local Dipole Formation in Lead Chalcogenides
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December 2010 |
Convergence of electronic bands for high performance bulk thermoelectrics
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May 2011 |
Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States
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July 2008 |
Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics
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December 2014 |
Band Engineering of Thermoelectric Materials
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October 2012 |
Yell : a computer program for diffuse scattering analysis via three-dimensional delta pair distribution function refinement
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May 2014 |
First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb
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March 2003 |
First-principles accurate total energy surfaces for polar structural distortions of BaTiO 3 , PbTiO 3 , and SrTiO 3 : Consequences for structural transition temperatures
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October 2010 |
Effect of thermal disorder on high figure of merit in PbTe
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July 2012 |
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
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April 2005 |
Neutron scattering lengths and cross sections
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January 1992 |
Fermi surface evolution of Na-doped PbTe studied through density functional theory calculations and Shubnikov–de Haas measurements
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November 2016 |
Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe
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August 2012 |
Structural disorder, anisotropic micro-strain and cation vacancies in thermo-electric lead chalcogenides
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January 2016 |
Origin of anomalous anharmonic lattice dynamics of lead telluride
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March 2014 |
Paraelectric Behavior of PbTe
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July 1970 |
A hybrid Gaussian and plane wave density functional scheme
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October 1997 |
Thermoelectric enhancement in PbTe with K or Na codoping from tuning the interaction of the light- and heavy-hole valence bands
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September 2010 |
Structural disorder in the decagonal Al–Co–Ni. II. Modeling
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June 2005 |
Molecular dynamics simulations of lattice thermal conductivity and spectral phonon mean free path of PbTe: Bulk and nanostructures
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February 2012 |
Structural disorder in the decagonal Al – Co – Ni . I. Patterson analysis of diffuse x-ray scattering data
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June 2005 |
First-Principles Approach to Nonlinear Lattice Dynamics: Anomalous Spectra in PbTe
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September 2014 |
The panoscopic approach to high performance thermoelectrics
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January 2014 |
Diffuse scattering in relaxor ferroelectrics: true three-dimensional mapping, experimental artefacts and modelling
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November 2011 |
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics
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April 2014 |
New promising bulk thermoelectrics: intermetallics, pnictides and chalcogenides
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February 2014 |
Giant anharmonic phonon scattering in PbTe
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June 2011 |
Lead Is Not Off Center in PbTe: The Importance of r -Space Phase Information in Extended X-Ray Absorption Fine Structure Spectroscopy
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August 2013 |
Local off-centering symmetry breaking in the high-temperature regime of SnTe
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January 2014 |
Canonical sampling through velocity rescaling
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January 2007 |
Thinking Like a Chemist: Intuition in Thermoelectric Materials
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April 2016 |
A short history of SHELX
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December 2007 |
Charge density wave fluctuations, heavy electrons, and superconductivity in KNi 2 S 2
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January 2013 |
First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO 3
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September 1995 |
Direct Evidence of Cation Disorder in Thermoelectric Lead Chalcogenides PbTe and PbS
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June 2013 |
Monoxyde quadratique PbOα(I): Description de la transition structurale ferroe´lastique
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May 1985 |
Molecular dynamics with coupling to an external bath
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October 1984 |
Materials for thermoelectric energy conversion
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April 1988 |
First principles phonon calculations in materials science
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November 2015 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
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May 2005 |
Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors
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August 2015 |
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
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July 2007 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
Band structure engineering through orbital interaction for enhanced thermoelectric power factor
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February 2014 |
Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe
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July 2016 |
Diffuse scattering data acquisition techniques
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October 1998 |
Understanding the Insulating Phase in Colossal Magnetoresistance Manganites: Shortening of the Jahn-Teller Long-Bond across the Phase Diagram of La 1 − x Ca x MnO 3
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March 2007 |
Spectroscopic evidence for temperature-dependent convergence of light- and heavy-hole valence bands of PbQ (Q = Te, Se, S)
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journal
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January 2017 |
A high-resolution neutron powder diffraction investigation of galena (PbS) between 10 K and 350 K: no evidence for anomalies in the lattice parameters or atomic displacement parameters in galena or altaite (PbTe) at temperatures corresponding to the saturation of cation disorder
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September 2014 |
Stereochemistry of post-transition metal oxides: revision of the classical lone pair model
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January 2011 |
Phase transition in crystalline GeTe: Pitfalls of averaging effects
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October 2010 |
Ab initio phase diagram and nucleation of gallium
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May 2020 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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journal
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May 2021 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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journal
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February 2020 |
The three-dimensional pair distribution function analysis of disordered single crystals: Basic concepts
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text
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January 2012 |
QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
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text
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January 2005 |
Molecular Dynamics Simulations of Lattice Thermal Conductivity and Spectral Phonon Mean Free Path of PbTe: Bulk and Nanostructures
- Qiu, Bo; Bao, Hua; Ruan, Xiulin
-
ASME 2012 Heat Transfer Summer Conference collocated with the ASME 2012 Fluids Engineering Division Summer Meeting and the ASME 2012 10th International Conference on Nanochannels, Microchannels, and M, Volume 1: Heat Transfer in Energy Systems; Theory and Fundamental Research; Aerospace Heat Transfer; Gas Turbine Heat Transfer; Transport Phenomena in Materials Processing and Manufacturing; Heat and
https://doi.org/10.1115/ht2012-58554
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conference
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July 2012 |
Thermoelectric enhancement in PbTe with K, Na co-doping from tuning the interaction of the light and heavy hole valence bands
|
text
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January 2010 |
PDFgetX3: A rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
|
text
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January 2012 |
A first-principles approach to nonlinear lattice dynamics: Anomalous spectra in PbTe
|
text
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January 2013 |
First principles phonon calculations in materials science
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preprint
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January 2015 |