标题
Perspective on ab initio phonon thermal transport
作者
关键词
-
出版物
JOURNAL OF APPLIED PHYSICS
Volume 126, Issue 5, Pages 050902
出版商
AIP Publishing
发表日期
2019-08-05
DOI
10.1063/1.5108651
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation
- (2019) Alan J. H. McGaughey et al. JOURNAL OF APPLIED PHYSICS
- Thermal Resistance of GaN / AlN Graded Interfaces
- (2019) Ambroise van Roekeghem et al. Physical Review Applied
- Observation of second sound in graphite at temperatures above 100 K
- (2019) S. Huberman et al. SCIENCE
- Phonon Scattering by Dislocations in GaN
- (2019) Tao Wang et al. ACS Applied Materials & Interfaces
- Unified theory of thermal transport in crystals and glasses
- (2019) Michele Simoncelli et al. Nature Physics
- Intrinsic anharmonic localization in thermoelectric PbSe
- (2019) M. E. Manley et al. Nature Communications
- Seeded growth of boron arsenide single crystals with high thermal conductivity
- (2018) Fei Tian et al. APPLIED PHYSICS LETTERS
- Minimum thermal conductivity in the context of diffuson-mediated thermal transport
- (2018) Matthias T. Agne et al. Energy & Environmental Science
- First-principle phonon thermal transport in graphene: Effects of exchange-correlation and type of pseudopotential
- (2018) Armin Taheri et al. JOURNAL OF APPLIED PHYSICS
- Optimizing the Interfacial Thermal Conductance at Gold–Alkane Junctions From “First Principles”
- (2018) Jingjie Zhang et al. JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME
- On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe 4
- (2018) Evelyne Martin et al. JOURNAL OF NON-CRYSTALLINE SOLIDS
- Predictive Design and Experimental Realization of InAs/GaAs Superlattices with Tailored Thermal Conductivity
- (2018) J. Carrete et al. Journal of Physical Chemistry C
- Thermal Conductivity of Solids from First-Principles Molecular Dynamics Calculations
- (2018) John S. Tse et al. Journal of Physical Chemistry C
- Thermal transport through Ge-rich Ge/Si superlattices grown on Ge(0 0 1)
- (2018) L Thumfart et al. JOURNAL OF PHYSICS D-APPLIED PHYSICS
- Cation Dynamics Governed Thermal Properties of Lead Halide Perovskite Nanowires
- (2018) Yuxi Wang et al. NANO LETTERS
- Calculating lattice thermal conductivity: a synopsis
- (2018) Giorgia Fugallo et al. PHYSICA SCRIPTA
- Thermal Transport and Phonon Hydrodynamics in Strontium Titanate
- (2018) Valentina Martelli et al. PHYSICAL REVIEW LETTERS
- Two-channel model for ultralow thermal conductivity of crystalline Tl3VSe4
- (2018) Saikat Mukhopadhyay et al. SCIENCE
- Unusual high thermal conductivity in boron arsenide bulk crystals
- (2018) Fei Tian et al. SCIENCE
- Experimental observation of high thermal conductivity in boron arsenide
- (2018) Joon Sang Kang et al. SCIENCE
- Full-field thermal imaging of quasiballistic crosstalk reduction in nanoscale devices
- (2018) Amirkoushyar Ziabari et al. Nature Communications
- Observation of Poiseuille flow of phonons in black phosphorus
- (2018) Yo Machida et al. Science Advances
- Phonon transport unveils the prevalent point defects in GaN
- (2018) Ankita Katre et al. PHYSICAL REVIEW MATERIALS
- Single-crystal high entropy perovskite oxide epitaxial films
- (2018) Yogesh Sharma et al. PHYSICAL REVIEW MATERIALS
- Emergence of hydrodynamic heat transport in semiconductors at the nanoscale
- (2018) P. Torres et al. PHYSICAL REVIEW MATERIALS
- Revisiting lattice thermal transport in PbTe: The crucial role of quartic anharmonicity
- (2018) Yi Xia APPLIED PHYSICS LETTERS
- Antisite Pairs Suppress the Thermal Conductivity of BAs
- (2018) Qiang Zheng et al. PHYSICAL REVIEW LETTERS
- High thermal conductivity in cubic boron arsenide crystals
- (2018) Sheng Li et al. SCIENCE
- Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles
- (2018) Yuhao Fu et al. PHYSICAL REVIEW MATERIALS
- Tutorial: Concepts and numerical techniques for modeling individual phonon transmission at interfaces
- (2018) Zhun-Yong Ong JOURNAL OF APPLIED PHYSICS
- Thermal Transport in Disordered Materials
- (2018) Freddy DeAngelis et al. Nanoscale and Microscale Thermophysical Engineering
- Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport
- (2018) Chunhua Li et al. PHYSICAL REVIEW LETTERS
- Predictive multiphase evolution in Al-containing high-entropy alloys
- (2018) L. J. Santodonato et al. Nature Communications
- A high-entropy alloy with hierarchical nanoprecipitates and ultrahigh strength
- (2018) Zhiqiang Fu et al. Science Advances
- Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction
- (2017) Mingda Li et al. NANO LETTERS
- Boltzmann Transport in Nanostructures as a Friction Effect
- (2017) Andrea Cepellotti et al. NANO LETTERS
- Phonon Hydrodynamic Heat Conduction and Knudsen Minimum in Graphite
- (2017) Zhiwei Ding et al. NANO LETTERS
- Influence of Antisite Defects on the Thermoelectric Properties of Fe2VAl
- (2017) Subrahmanyam Bandaru et al. Nanoscale and Microscale Thermophysical Engineering
- Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics
- (2017) Assil Bouzid et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids
- (2017) Christian Carbogno et al. PHYSICAL REVIEW LETTERS
- Exceptionally Strong Phonon Scattering by B Substitution in Cubic SiC
- (2017) Ankita Katre et al. PHYSICAL REVIEW LETTERS
- Ultralow thermal conductivity in all-inorganic halide perovskites
- (2017) Woochul Lee et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity
- (2017) Pinku Nath et al. SCRIPTA MATERIALIA
- Rethinking phonons: The issue of disorder
- (2017) Hamid Reza Seyf et al. npj Computational Materials
- First-principles simulations of heat transport
- (2017) Marcello Puligheddu et al. PHYSICAL REVIEW MATERIALS
- Transport waves as crystal excitations
- (2017) Andrea Cepellotti et al. PHYSICAL REVIEW MATERIALS
- Photoluminescence quantum efficiency of Er optical centers in GaN epilayers
- (2017) V. X. Ho et al. Scientific Reports
- Accurate thermal conductivities from optimally short molecular dynamics simulations
- (2017) Loris Ercole et al. Scientific Reports
- Thermal and thermoelectric transport measurements of an individual boron arsenide microstructure
- (2016) Jaehyun Kim et al. APPLIED PHYSICS LETTERS
- Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates
- (2016) Bjorn Vermeersch et al. APPLIED PHYSICS LETTERS
- EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions
- (2016) S. Poncé et al. COMPUTER PHYSICS COMMUNICATIONS
- Thermal rectification in silicon by a graded distribution of defects
- (2016) Riccardo Dettori et al. JOURNAL OF APPLIED PHYSICS
- A method for distinguishing between propagons, diffusions, and locons
- (2016) Hamid Reza Seyf et al. JOURNAL OF APPLIED PHYSICS
- First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering
- (2016) Yan Wang et al. JOURNAL OF APPLIED PHYSICS
- Gauge Invariance of Thermal Transport Coefficients
- (2016) Loris Ercole et al. JOURNAL OF LOW TEMPERATURE PHYSICS
- First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review
- (2016) Lucas Lindsay Nanoscale and Microscale Thermophysical Engineering
- Accurate measurements of cross-plane thermal conductivity of thin films by dual-frequency time-domain thermoreflectance (TDTR)
- (2016) Puqing Jiang et al. REVIEW OF SCIENTIFIC INSTRUMENTS
- First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors
- (2016) Jiawei Zhou et al. SEMICONDUCTOR SCIENCE AND TECHNOLOGY
- Examining the Validity of the Phonon Gas Model in Amorphous Materials
- (2016) Wei Lv et al. Scientific Reports
- Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations
- (2016) K. Sääskilahti et al. AIP Advances
- Unraveling the dominant phonon scattering mechanism in the thermoelectric compound ZrNiSn
- (2016) Ankita Katre et al. Journal of Materials Chemistry A
- Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity
- (2016) K. Jin et al. Scientific Reports
- Non-negligible Contributions to Thermal Conductivity From Localized Modes in Amorphous Silicon Dioxide
- (2016) Wei Lv et al. Scientific Reports
- Ultralow thermal conductivity of β-Cu 2 Se by atomic fluidity and structure distortion
- (2015) Hyoungchul Kim et al. ACTA MATERIALIA
- On the importance of collective excitations for thermal transport in graphene
- (2015) Maxime Gill-Comeau et al. APPLIED PHYSICS LETTERS
- Experimental study of the proposed super-thermal-conductor: BAs
- (2015) Bing Lv et al. APPLIED PHYSICS LETTERS
- Effect of exchange–correlation on first-principles-driven lattice thermal conductivity predictions of crystalline silicon
- (2015) Ankit Jain et al. COMPUTATIONAL MATERIALS SCIENCE
- Phonon Transport Simulator (PhonTS)
- (2015) Aleksandr Chernatynskiy et al. COMPUTER PHYSICS COMMUNICATIONS
- Spectral mapping of thermal conductivity through nanoscale ballistic transport
- (2015) Yongjie Hu et al. Nature Nanotechnology
- Microscopic theory and quantum simulation of atomic heat transport
- (2015) Aris Marcolongo et al. Nature Physics
- Efficient approach for modeling phonon transmission probability in nanoscale interfacial thermal transport
- (2015) Zhun-Yong Ong et al. PHYSICAL REVIEW B
- Distributions of phonon lifetimes in Brillouin zones
- (2015) Atsushi Togo et al. PHYSICAL REVIEW B
- Ultralow lattice thermal conductivity of the fully filled skutteruditeYbFe4Sb12due to the flat avoided-crossing filler modes
- (2015) Wu Li 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
- Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study
- (2015) Bolin Liao et al. PHYSICAL REVIEW LETTERS
- Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization
- (2015) Atsuto Seko et al. PHYSICAL REVIEW LETTERS
- Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
- (2015) Terumasa Tadano et al. PHYSICAL REVIEW LETTERS
- First principles phonon calculations in materials science
- (2015) Atsushi Togo et al. SCRIPTA MATERIALIA
- Entropy-stabilized oxides
- (2015) Christina M. Rost et al. Nature Communications
- Hydrodynamic phonon transport in suspended graphene
- (2015) Sangyeop Lee et al. Nature Communications
- Phonon hydrodynamics in two-dimensional materials
- (2015) Andrea Cepellotti et al. Nature Communications
- Twisting phonons in complex crystals with quasi-one-dimensional substructures
- (2015) Xi Chen et al. Nature Communications
- Diameter Dependence of Lattice Thermal Conductivity of Single-Walled Carbon Nanotubes: Study from Ab Initio
- (2015) Sheng-Ying Yue et al. Scientific Reports
- The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
- (2015) Scott Kirklin et al. npj Computational Materials
- Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study
- (2014) Jesús Carrete et al. ADVANCED FUNCTIONAL MATERIALS
- Demystifying umklapp vs normal scattering in lattice thermal conductivity
- (2014) A. A. Maznev et al. AMERICAN JOURNAL OF PHYSICS
- ShengBTE: A solver of the Boltzmann transport equation for phonons
- (2014) Wu Li et al. COMPUTER PHYSICS COMMUNICATIONS
- NbFeSb-based p-type half-Heuslers for power generation applications
- (2014) Giri Joshi et al. Energy & Environmental Science
- Calculating thermal conductivity in a transient conduction regime: theory and implementation
- (2014) Claudio Melis et al. EUROPEAN PHYSICAL JOURNAL B
- Thermal conductivity of compound semiconductors: Interplay of mass density and acoustic-optical phonon frequency gap
- (2014) Ankit Jain et al. JOURNAL OF APPLIED PHYSICS
- Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations
- (2014) T Tadano et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths
- (2014) Giorgia Fugallo et al. NANO LETTERS
- Green's function studies of phonon transport across Si/Ge superlattices
- (2014) Zhiting Tian et al. PHYSICAL REVIEW B
- Effect of nitrogen and vacancy defects on the thermal conductivity of diamond: Anab initioGreen's function approach
- (2014) N. A. Katcho et al. PHYSICAL REVIEW B
- Phonon thermal transport in strained and unstrained graphene from first principles
- (2014) L. Lindsay et al. PHYSICAL REVIEW B
- High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model
- (2014) Cormac Toher 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
- Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations
- (2014) Fei Zhou et al. PHYSICAL REVIEW LETTERS
- Resonant bonding leads to low lattice thermal conductivity
- (2014) Sangyeop Lee et al. Nature Communications
- Anisotropic failure of Fourier theory in time-domain thermoreflectance experiments
- (2014) R. B. Wilson et al. Nature Communications
- Suppression of thermal conductivity in InxGa1−xN alloys by nanometer-scale disorder
- (2013) T. Tong et al. APPLIED PHYSICS LETTERS
- Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles
- (2013) Wu Li et al. APPLIED PHYSICS LETTERS
- Importance of local force fields on lattice thermal conductivity reduction in PbTe1−xSexalloys
- (2013) Takuru Murakami et al. EPL
- Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation
- (2013) Jason M. Larkin et al. JOURNAL OF APPLIED PHYSICS
- Thermal conductivity from approach-to-equilibrium molecular dynamics
- (2013) E. Lampin et al. JOURNAL OF APPLIED PHYSICS
- Mean Free Path Effects on the Experimentally Measured Thermal Conductivity of Single-Crystal Silicon Microbridges
- (2013) Timothy S. English et al. JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME
- Anisotropy of the Thermal Conductivity in GaAs/AlAs Superlattices
- (2013) Maria N. Luckyanova et al. NANO LETTERS
- Suppression of thermal conductivity by rattling modes in thermoelectric sodium cobaltate
- (2013) D. J. Voneshen et al. NATURE MATERIALS
- Phonon transport in periodic silicon nanoporous films with feature sizes greater than 100 nm
- (2013) Ankit Jain et al. PHYSICAL REVIEW B
- Minimum thermal conductivity in superlattices: A first-principles formalism
- (2013) Jivtesh Garg et al. PHYSICAL REVIEW B
- Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study
- (2013) L. Lindsay et al. PHYSICAL REVIEW B
- Improved Callaway model for lattice thermal conductivity
- (2013) Philip B. Allen PHYSICAL REVIEW B
- Recovering hidden Bloch character: Unfolding electrons, phonons, and slabs
- (2013) P. B. Allen et al. PHYSICAL REVIEW B
- Ab initiovariational approach for evaluating lattice thermal conductivity
- (2013) Giorgia Fugallo et al. PHYSICAL REVIEW B
- Ab initiothermal transport in compound semiconductors
- (2013) L. Lindsay et al. PHYSICAL REVIEW B
- First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
- (2013) L. Lindsay et al. PHYSICAL REVIEW LETTERS
- Direct Solution to the Linearized Phonon Boltzmann Equation
- (2013) Laurent Chaput PHYSICAL REVIEW LETTERS
- Direct Measurement of Room-Temperature Nondiffusive Thermal Transport Over Micron Distances in a Silicon Membrane
- (2013) Jeremy A. Johnson et al. PHYSICAL REVIEW LETTERS
- Role of Surface-Segregation-Driven Intermixing on the Thermal Transport through PlanarSi/GeSuperlattices
- (2013) Peixuan Chen et al. PHYSICAL REVIEW LETTERS
- Broadband phonon mean free path contributions to thermal conductivity measured using frequency domain thermoreflectance
- (2013) Keith T. Regner et al. Nature Communications
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- Thermal boundary resistance at silicon-silica interfaces by molecular dynamics simulations
- (2012) E. Lampin et al. APPLIED PHYSICS LETTERS
- An alternative approach to efficient simulation of micro/nanoscale phonon transport
- (2012) Jean-Philippe M. Péraud et al. APPLIED PHYSICS LETTERS
- AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
- (2012) Stefano Curtarolo et al. COMPUTATIONAL MATERIALS SCIENCE
- Comparison of molecular dynamics methods and interatomic potentials for calculating the thermal conductivity of silicon
- (2012) P. C. Howell JOURNAL OF CHEMICAL PHYSICS
- On calculation of thermal conductivity from Einstein relation in equilibrium molecular dynamics
- (2012) A. Kinaci et al. JOURNAL OF CHEMICAL PHYSICS
- Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations
- (2012) Yuping He et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Thermal transport in phase-change materials from atomistic simulations
- (2012) Gabriele C. Sosso et al. PHYSICAL REVIEW B
- Theory of thermal transport in multilayer hexagonal boron nitride and nanotubes
- (2012) L. Lindsay et al. PHYSICAL REVIEW B
- Phonon conduction in PbSe, PbTe, and PbTe1−xSexfrom first-principles calculations
- (2012) Zhiting Tian et al. PHYSICAL REVIEW B
- Thermal conductivity of diamond nanowires from first principles
- (2012) Wu Li et al. PHYSICAL REVIEW B
- Thermal conductivity of bulk and nanowire Mg2SixSn1−xalloys from first principles
- (2012) Wu Li et al. PHYSICAL REVIEW B
- Thermal Conductivity and Large Isotope Effect in GaN from First Principles
- (2012) L. Lindsay et al. PHYSICAL REVIEW LETTERS
- Coherent Phonon Heat Conduction in Superlattices
- (2012) M. N. Luckyanova et al. SCIENCE
- High Thermal Conductivity in Short-Period Superlattices
- (2011) Jivtesh Garg et al. NANO LETTERS
- Convergence of electronic bands for high performance bulk thermoelectrics
- (2011) Yanzhong Pei et al. NATURE
- Giant anharmonic phonon scattering in PbTe
- (2011) O. Delaire et al. NATURE MATERIALS
- Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping
- (2011) T. M. Gibbons et al. PHYSICAL REVIEW B
- Efficient simulation of multidimensional phonon transport using energy-based variance-reduced Monte Carlo formulations
- (2011) Jean-Philippe M. Péraud et al. PHYSICAL REVIEW B
- Thermal conductivity of half-Heusler compounds from first-principles calculations
- (2011) Junichiro Shiomi et al. PHYSICAL REVIEW B
- Lattice dynamics of anharmonic solids from first principles
- (2011) O. Hellman et al. PHYSICAL REVIEW B
- Energy density in density functional theory: Application to crystalline defects and surfaces
- (2011) Min Yu et al. PHYSICAL REVIEW B
- Role of light and heavy embedded nanoparticles on the thermal conductivity of SiGe alloys
- (2011) A. Kundu et al. PHYSICAL REVIEW B
- Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds
- (2011) Eric J. Skoug et al. PHYSICAL REVIEW LETTERS
- Anomalous Lattice Dynamics near the Ferroelectric Instability in PbTe
- (2011) Yi Zhang et al. PHYSICAL REVIEW LETTERS
- 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 Spectroscopy Technique to Measure Phonon Mean Free Paths
- (2011) A. J. Minnich et al. PHYSICAL REVIEW LETTERS
- EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions
- (2010) Jesse Noffsinger et al. COMPUTER PHYSICS COMMUNICATIONS
- Theory of the lattice thermal conductivity in bulk and films of GaN
- (2010) A. AlShaikhi et al. PHYSICAL REVIEW B
- Lattice thermal conductivity: Computations and theory of the high-temperature breakdown of the phonon-gas model
- (2010) Tao Sun et al. PHYSICAL REVIEW B
- Predicting phonon dispersion relations and lifetimes from the spectral energy density
- (2010) John A. Thomas et al. PHYSICAL REVIEW B
- Flexural phonons and thermal transport in graphene
- (2010) L. Lindsay et al. PHYSICAL REVIEW B
- Thermal Conductivity of Periclase (MgO) from First Principles
- (2010) Stephen Stackhouse et al. PHYSICAL REVIEW LETTERS
- Two-Dimensional Phonon Transport in Supported Graphene
- (2010) J. H. Seol et al. SCIENCE
- Acoustic mismatch model for thermal contact resistance of van der Waals contacts
- (2009) Ravi Prasher APPLIED PHYSICS LETTERS
- Nanostructured Thermoelectrics: The New Paradigm?†
- (2009) Mercouri G. Kanatzidis CHEMISTRY OF MATERIALS
- Phonon hydrodynamics and phonon-boundary scattering in nanosystems
- (2009) F. X. Alvarez et al. JOURNAL OF APPLIED PHYSICS
- Calculation of the lattice constant of solids with semilocal functionals
- (2009) Philipp Haas et al. PHYSICAL REVIEW B
- Lattice thermal conductivity of single-walled carbon nanotubes: Beyond the relaxation time approximation and phonon-phonon scattering selection rules
- (2009) L. Lindsay et al. PHYSICAL REVIEW B
- Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations
- (2009) J. E. Turney et al. PHYSICAL REVIEW B
- Ab initiotheory of the lattice thermal conductivity in diamond
- (2009) A. Ward et al. PHYSICAL REVIEW B
- Impact of Impurities on the Thermal Conductivity of Semiconductor Nanostructures: First-Principles Theory
- (2009) T. M. Gibbons et al. PHYSICAL REVIEW LETTERS
- Thermal Conductivity of MgO Periclase from Equilibrium First Principles Molecular Dynamics
- (2009) Nico de Koker PHYSICAL REVIEW LETTERS
- Atomistic Simulations of Heat Transport in Silicon Nanowires
- (2009) Davide Donadio et al. PHYSICAL REVIEW LETTERS
- Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits
- (2008) S. Ghosh et al. APPLIED PHYSICS LETTERS
- Superior Thermal Conductivity of Single-Layer Graphene
- (2008) Alexander A. Balandin et al. NANO LETTERS
- Nanostructuring and more
- (2008) David J. Singh et al. NATURE MATERIALS
- Phonon Transport in Isotope-Disordered Carbon and Boron-Nitride Nanotubes: Is Localization Observable?
- (2008) Ivana Savić et al. PHYSICAL REVIEW LETTERS
- Intrinsically Minimal Thermal Conductivity in CubicI−V−VI2Semiconductors
- (2008) D. T. Morelli et al. PHYSICAL REVIEW LETTERS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now