Intrinsic Low Thermal Conductivity and Phonon Renormalization Due to Strong Anharmonicity of Single-Crystal Tin Selenide
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July 2019 |
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
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February 2014 |
First-principles study of phonon anharmonicity and negative thermal expansion in
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March 2019 |
Ultralow thermal conductivity in all-inorganic halide perovskites
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July 2017 |
Halide Perovskites: Thermal Transport and Prospects for Thermoelectricity
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April 2020 |
Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions
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November 2020 |
First-principles self-consistent phonon approach to the study of the vibrational properties and structural phase transition of
BaTiO3
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March 2021 |
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe
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February 2019 |
Structural Phase Transitions in CsPbBr 3
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November 1974 |
Anomalous thermal conductivity and suppression of negative thermal expansion in
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July 2016 |
Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline
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February 2020 |
Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles
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March 2018 |
Phonon Speed, Not Scattering, Differentiates Thermal Transport in Lead Halide Perovskites
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August 2017 |
First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
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April 2018 |
Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation
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July 2017 |
High-Throughput Study of Lattice Thermal Conductivity in Binary Rocksalt and Zinc Blende Compounds Including Higher-Order Anharmonicity
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November 2020 |
Anharmonic stabilization and band gap renormalization in the perovskite
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November 2015 |
Interacting Electrons: Theory and Computational Approaches
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book
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June 2016 |
High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor
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April 2015 |
All-Inorganic Halide Perovskites as Potential Thermoelectric Materials: Dynamic Cation off-Centering Induces Ultralow Thermal Conductivity
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April 2020 |
A mixed-space approach to first-principles calculations of phonon frequencies for polar materials
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April 2010 |
Self-consistent phonon calculations of lattice dynamical properties in cubic with first-principles anharmonic force constants
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August 2015 |
Precision and efficiency in solid-state pseudopotential calculations
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December 2018 |
Terahertz-driven phonon upconversion in SrTiO3
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January 2019 |
Phase transitions, screening and dielectric response of CsPbBr3
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January 2020 |
Crystal Structure Features of CsPbBr 3 Perovskite Prepared by Mechanochemical Synthesis
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March 2020 |
The Adaptive Lasso and Its Oracle Properties
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December 2006 |
Unified first-principles theory of thermal properties of insulators
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August 2018 |
Unified theory of thermal transport in crystals and glasses
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May 2019 |
Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations
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May 2014 |
ShengBTE: A solver of the Boltzmann transport equation for phonons
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June 2014 |
Giant anharmonic phonon scattering in PbTe
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June 2011 |
Understanding the physical properties of hybrid perovskites for photovoltaic applications
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July 2017 |
Common acoustic phonon lifetimes in inorganic and hybrid lead halide perovskites
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September 2019 |
Phonons and related crystal properties from density-functional perturbation theory
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July 2001 |
Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids
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October 2017 |
Efficient construction of linear models in materials modeling and applications to force constant expansions
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September 2020 |
Anharmonicity measure for materials
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August 2020 |
Quasiparticle Self-Consistent Theory
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June 2006 |
Orbitally driven giant phonon anharmonicity in SnSe
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October 2015 |
Effect of Van Hove singularities on high- superconductivity in
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March 2016 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
The rise of self-consistent phonon theory
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November 1972 |
Retreat from Stress: Rattling in a Planar Coordination
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February 2018 |
Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO 3
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March 2020 |
Lattice dynamics of anharmonic solids from first principles
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November 2011 |
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
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April 1997 |
Effect of Halogen Ions on the Low Thermal Conductivity of Cesium Halide Perovskite
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January 2021 |
Self-energy of phonons in an anharmonic crystal toO(δ 4)
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June 1974 |
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
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February 2020 |
Anomalous electronic and thermoelectric transport properties in cubic antiperovskite
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September 2020 |
Advanced capabilities for materials modelling with Quantum ESPRESSO
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October 2017 |
Lattice thermal conductivity: Computations and theory of the high-temperature breakdown of the phonon-gas model
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December 2010 |