Anharmonicity in Thermal Insulators: An Analysis from First Principles
Published 2023 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Anharmonicity in Thermal Insulators: An Analysis from First Principles
Authors
Keywords
-
Journal
PHYSICAL REVIEW LETTERS
Volume 130, Issue 23, Pages -
Publisher
American Physical Society (APS)
Online
2023-06-08
DOI
10.1103/physrevlett.130.236301
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Charting the Lattice Thermal Conductivities of I–III–VI2 Chalcopyrite Semiconductors
- (2022) Jose J. Plata et al. CHEMISTRY OF MATERIALS
- High Thermoelectric Performance in Chalcopyrite Cu1–xAgxGaTe2–ZnTe: Nontrivial Band Structure and Dynamic Doping Effect
- (2022) Hongyao Xie et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Wigner Formulation of Thermal Transport in Solids
- (2022) Michele Simoncelli et al. Physical Review X
- Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
- (2021) Carla Verdi et al. npj Computational Materials
- Beating the thermal conductivity alloy limit using long-period compositionally graded Si1-xGex superlattices
- (2020) Pablo Ferrando-Villalba et al. Journal of Physical Chemistry C
- Anharmonicity measure for materials
- (2020) Florian Knoop et al. Physical Review Materials
- Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe
- (2019) Unai Aseginolaza et al. PHYSICAL REVIEW LETTERS
- Unified theory of thermal transport in crystals and glasses
- (2019) Michele Simoncelli et al. Nature Physics
- Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type AgInSe2 Thermoelectrics
- (2019) Yingcai Zhu et al. CHEMISTRY OF MATERIALS
- Machine learning models for the lattice thermal conductivity prediction of inorganic materials
- (2019) Lihua Chen et al. COMPUTATIONAL MATERIALS SCIENCE
- Parametrically constrained geometry relaxations for high-throughput materials science
- (2019) Maja-Olivia Lenz et al. npj Computational Materials
- Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles
- (2018) Terumasa Tadano et al. PHYSICAL REVIEW LETTERS
- Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids
- (2017) Christian Carbogno et al. PHYSICAL REVIEW LETTERS
- Defect-induced local variation of crystal phase transition temperature in metal-halide perovskites
- (2017) Alexander Dobrovolsky et al. Nature Communications
- An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library
- (2017) Jose J. Plata et al. npj Computational Materials
- Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites
- (2016) Jung-Hoon Lee et al. CHEMISTRY OF MATERIALS
- The intrinsic thermal conductivity of SnSe
- (2016) Pai-Chun Wei et al. NATURE
- All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals
- (2015) Franz Knuth et al. COMPUTER PHYSICS COMMUNICATIONS
- Microscopic theory and quantum simulation of atomic heat transport
- (2015) Aris Marcolongo et al. Nature Physics
- Thermal conductivity in PbTe from first principles
- (2015) A. H. Romero et al. PHYSICAL REVIEW B
- Distributions of phonon lifetimes in Brillouin zones
- (2015) Atsushi Togo et al. PHYSICAL REVIEW B
- First principles phonon calculations in materials science
- (2015) Atsushi Togo et al. SCRIPTA MATERIALIA
- Assessment of the thermoelectric performance of polycrystalline p-type SnSe
- (2014) S. Sassi et al. APPLIED PHYSICS LETTERS
- Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
- (2014) Li-Dong Zhao et al. NATURE
- Ferroelastic switching of doped zirconia: Modeling and understanding from first principles
- (2014) Christian Carbogno et al. PHYSICAL REVIEW B
- Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations
- (2013) Michael W. Gaultois et al. CHEMISTRY OF MATERIALS
- 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
- Thermal-barrier coatings for more efficient gas-turbine engines
- (2012) David R. Clarke et al. MRS BULLETIN
- High-performance bulk thermoelectrics with all-scale hierarchical architectures
- (2012) Kanishka Biswas et al. NATURE
- Thermal transport in phase-change materials from atomistic simulations
- (2012) Gabriele C. Sosso et al. PHYSICAL REVIEW B
- Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study
- (2011) Jivtesh Garg et al. PHYSICAL REVIEW LETTERS
- Thermal conductivity of single crystals with a fluorite structure: Cadmium fluoride
- (2010) P. A. Popov et al. PHYSICS OF THE SOLID STATE
- Ab initio molecular simulations with numeric atom-centered orbitals
- (2009) Volker Blum et al. COMPUTER PHYSICS COMMUNICATIONS
- The Hotter the Engine, the Better
- (2009) J. H. Perepezko SCIENCE
- Complex thermoelectric materials
- (2008) G. Jeffrey Snyder et al. NATURE MATERIALS
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now