Angeles, F.; Sun, Q.; Ortiz, V.; Shi, J.; Li, C.; Wilson, R. B.
Interfacial thermal transport in spin caloritronic material systems Journal Article
In: Physical Review Materials, iss. 5, no. 114403, 2021.
BibTeX | Tags: lattice dynamics, thermal transport
@article{Wilson2021,
title = {Interfacial thermal transport in spin caloritronic material systems},
author = {F. Angeles and Q. Sun and V. Ortiz and J. Shi and C. Li and R. B. Wilson},
year = {2021},
date = {2021-11-11},
urldate = {2021-07-01},
journal = {Physical Review Materials},
number = {114403},
issue = {5},
keywords = {lattice dynamics, thermal transport},
pubstate = {published},
tppubtype = {article}
}
Liu, Junyan; Strobel, Timothy A.; Zhang, Haidong; Abernathy, Doug; Li, Chen; Hong, Jiawang
Significant phase-space-driven thermal transport suppression in BC8 silicon Journal Article
In: Materials Today Physics, vol. 21, pp. 100566, 2021.
Abstract | Links | BibTeX | Tags: anharmonicity, lattice dynamics, phonon, thermal transport
@article{nokey,
title = {Significant phase-space-driven thermal transport suppression in BC8 silicon},
author = {Junyan Liu and Timothy A. Strobel and Haidong Zhang and Doug Abernathy and Chen Li and Jiawang Hong},
url = {https://www.sciencedirect.com/science/article/pii/S2542529321002273?dgcid=author},
doi = {10.1016/j.mtphys.2021.100566},
year = {2021},
date = {2021-10-29},
journal = {Materials Today Physics},
volume = {21},
pages = {100566},
abstract = {The BC8 silicon allotrope has a lattice thermal conductivity 1\textendash2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8\textendashSi. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. They significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8\textendashSi, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.},
keywords = {anharmonicity, lattice dynamics, phonon, thermal transport},
pubstate = {published},
tppubtype = {article}
}
The BC8 silicon allotrope has a lattice thermal conductivity 1–2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8–Si. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. They significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8–Si, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.
Niedziela, J. L.; Bansal, D.; Ding, J.; Lanigan-Atkins, T.; Li, Chen; May, A. F.; Wang, H.; Lin, J. Y. Y.; Abernathy, D. L.; Ehlers, G.; Huq, A.; Parshall, D.; Lynn, J. W.; Delaire, O.
Controlling phonon lifetimes via sublattice disordering in AgBiSe2 Journal Article
In: Phys. Rev. Materials, vol. 4, pp. 105402, 2020.
Abstract | Links | BibTeX | Tags: lattice dynamics, phonon, thermal transport
@article{Delaire2020,
title = {Controlling phonon lifetimes via sublattice disordering in AgBiSe2},
author = {J. L. Niedziela and D. Bansal and J. Ding and T. Lanigan-Atkins and Chen Li and A. F. May and H. Wang and J. Y. Y. Lin and D. L. Abernathy and G. Ehlers and A. Huq and D. Parshall and J. W. Lynn and O. Delaire},
url = {https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.4.105402},
doi = {10.1103/PhysRevMaterials.4.105402},
year = {2020},
date = {2020-08-04},
journal = {Phys. Rev. Materials},
volume = {4},
pages = {105402},
abstract = {Understanding and controlling microscopic heat transfer mechanisms in solids is critical to material design in numerous technological applications. Yet, the current understanding of thermal transport in semiconductors and insulators is limited by the difficulty in directly measuring individual phonon lifetimes and mean free paths, and studying their dependence on the microscopic state of the material. Here we report our measurements of microscopic phonon scattering rates in AgBiSe2, which exhibits a controllable, reversible change directly linked to microstructure evolution near a reversible structural phase transition, that directly impacts the thermal conductivity. We demonstrate a steplike doubling of phonon scattering rates resultant from the cation disordering at the structural transition. To rationalize the neutron scattering data, we leverage a stepwise approach to account for alterations to the thermal conductivity that are imparted by distinct scattering mechanisms. These results highlight the potential of tunable microstructures housed in a stable crystal matrix to provide a practical route to tailor phonon scattering to optimize thermal transport properties.},
keywords = {lattice dynamics, phonon, thermal transport},
pubstate = {published},
tppubtype = {article}
}
Understanding and controlling microscopic heat transfer mechanisms in solids is critical to material design in numerous technological applications. Yet, the current understanding of thermal transport in semiconductors and insulators is limited by the difficulty in directly measuring individual phonon lifetimes and mean free paths, and studying their dependence on the microscopic state of the material. Here we report our measurements of microscopic phonon scattering rates in AgBiSe2, which exhibits a controllable, reversible change directly linked to microstructure evolution near a reversible structural phase transition, that directly impacts the thermal conductivity. We demonstrate a steplike doubling of phonon scattering rates resultant from the cation disordering at the structural transition. To rationalize the neutron scattering data, we leverage a stepwise approach to account for alterations to the thermal conductivity that are imparted by distinct scattering mechanisms. These results highlight the potential of tunable microstructures housed in a stable crystal matrix to provide a practical route to tailor phonon scattering to optimize thermal transport properties.
Sun, Qiyang; Li, Chen W.
Exploring nanoscale heat transport via neutron scattering Book Chapter
In: Liao, Bolin (Ed.): pp. 11-1~14, 2020, ISBN: 978-0-7503-1736-8.
Abstract | Links | BibTeX | Tags: lattice dynamics, phonon, thermal transport
@inbook{Sun2020,
title = {Exploring nanoscale heat transport via neutron scattering},
author = {Qiyang Sun and Chen W. Li},
editor = {Bolin Liao},
url = {https://iopscience.iop.org/book/978-0-7503-1738-2},
isbn = {978-0-7503-1736-8},
year = {2020},
date = {2020-03-01},
pages = {11-1~14},
abstract = {Nanoscale Energy Transport
Emerging phenomena, methods and applications
This book brings together leading names in the field of nanoscale energy transport to provide a comprehensive and insightful review of this developing topic. The text covers new developments in the scientific basis and the practical relevance of nanoscale energy transport, highlighting the emerging effects at the nanoscale that qualitatively differ from those at the macroscopic scale. Throughout the book, microscopic energy carriers are discussed, including photons, electrons and magnons. State-of-the-art computational and experimental nanoscale energy transport methods are reviewed, and a broad range of materials system topics are considered, from interfaces and molecular junctions to nanostructured bulk materials. Nanoscale Energy Transport is a valuable reference for researchers in physics, materials, mechanical and electrical engineering, and it provides an excellent resource for graduate students.},
keywords = {lattice dynamics, phonon, thermal transport},
pubstate = {published},
tppubtype = {inbook}
}
Nanoscale Energy Transport
Emerging phenomena, methods and applications
This book brings together leading names in the field of nanoscale energy transport to provide a comprehensive and insightful review of this developing topic. The text covers new developments in the scientific basis and the practical relevance of nanoscale energy transport, highlighting the emerging effects at the nanoscale that qualitatively differ from those at the macroscopic scale. Throughout the book, microscopic energy carriers are discussed, including photons, electrons and magnons. State-of-the-art computational and experimental nanoscale energy transport methods are reviewed, and a broad range of materials system topics are considered, from interfaces and molecular junctions to nanostructured bulk materials. Nanoscale Energy Transport is a valuable reference for researchers in physics, materials, mechanical and electrical engineering, and it provides an excellent resource for graduate students.
Emerging phenomena, methods and applications
This book brings together leading names in the field of nanoscale energy transport to provide a comprehensive and insightful review of this developing topic. The text covers new developments in the scientific basis and the practical relevance of nanoscale energy transport, highlighting the emerging effects at the nanoscale that qualitatively differ from those at the macroscopic scale. Throughout the book, microscopic energy carriers are discussed, including photons, electrons and magnons. State-of-the-art computational and experimental nanoscale energy transport methods are reviewed, and a broad range of materials system topics are considered, from interfaces and molecular junctions to nanostructured bulk materials. Nanoscale Energy Transport is a valuable reference for researchers in physics, materials, mechanical and electrical engineering, and it provides an excellent resource for graduate students.
Delaire, O; Al-Qasir, I I; May, A F; Li, Chen W; Sales, B C; Niedziela, J L; Ma, J; Matsuda, M; Abernathy, D L; Berlijn, T
Heavy-impurity resonance, hybridization, and phonon spectral functions in Fe1−xMxSi (M=Ir, Os) Journal Article
In: Physical Review B, vol. 91, no. 9, pp. 784, 2015.
Links | BibTeX | Tags: anharmonicity, lattice dynamics, phonon
@article{delaire_heavy-impurity_2015,
title = {Heavy-impurity resonance, hybridization, and phonon spectral functions in Fe1−xMxSi (M=Ir, Os)},
author = {O Delaire and I I Al-Qasir and A F May and Chen W Li and B C Sales and J L Niedziela and J Ma and M Matsuda and D L Abernathy and T Berlijn},
url = {https://link.aps.org/doi/10.1103/PhysRevB.91.094307},
doi = {10.1103/PhysRevB.91.094307},
year = {2015},
date = {2015-03-01},
journal = {Physical Review B},
volume = {91},
number = {9},
pages = {784},
keywords = {anharmonicity, lattice dynamics, phonon},
pubstate = {published},
tppubtype = {article}
}
Li, Chen W; Ma, J; Cao, H B; May, A F; Abernathy, D L; Ehlers, G; Hoffmann, C; Wang, X; Hong, T; Huq, A; Gourdon, O; Delaire, O
Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics Journal Article
In: Physical Review B, vol. 90, no. 21, pp. 194, 2014.
Links | BibTeX | Tags: anharmonicity, lattice dynamics, neutron, phonon, telluride
@article{li_anharmonicity_2014,
title = {Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics},
author = {Chen W Li and J Ma and H B Cao and A F May and D L Abernathy and G Ehlers and C Hoffmann and X Wang and T Hong and A Huq and O Gourdon and O Delaire},
url = {https://link.aps.org/doi/10.1103/PhysRevB.90.214303},
doi = {10.1103/PhysRevB.90.214303},
year = {2014},
date = {2014-01-01},
journal = {Physical Review B},
volume = {90},
number = {21},
pages = {194},
keywords = {anharmonicity, lattice dynamics, neutron, phonon, telluride},
pubstate = {published},
tppubtype = {article}
}
Keith, J B; Fennick, J R; Nelson, D R; Junkermeier, C E; Lin, J Y Y; Li, Chen W; McKerns, M M; Lewis, J P; Fultz, B
AtomSim: web-deployed atomistic dynamics simulator Journal Article
In: Journal of Applied Crystallography, vol. 43, no. 6, pp. 1553-1559, 2010.
Abstract | Links | BibTeX | Tags: lattice dynamics, software
@article{keith_atomsim:_2010,
title = {AtomSim: web-deployed atomistic dynamics simulator},
author = {J B Keith and J R Fennick and D R Nelson and C E Junkermeier and J Y Y Lin and Chen W Li and M M McKerns and J P Lewis and B Fultz},
url = {http://scripts.iucr.org/cgi-bin/paper?S0021889810037209},
doi = {10.1107/S0021889810037209},
year = {2010},
date = {2010-11-01},
journal = {Journal of Applied Crystallography},
volume = {43},
number = {6},
pages = {1553-1559},
abstract = {AtomSim, a collection of interfaces for computational crystallography simulations, has been developed. It uses forcefield-based dynamics through physics engines such as the General Utility Lattice Program, and can be integrated into larger computational frameworks such as the Virtual Neutron Facility for processing its dynamics into scattering functions, dynamical functions etc. It is also available as a Google App Engine-hosted web-deployed interface. Examples of a quartz molecular dynamics run and a hafnium dioxide phonon calculation are presented.},
keywords = {lattice dynamics, software},
pubstate = {published},
tppubtype = {article}
}
AtomSim, a collection of interfaces for computational crystallography simulations, has been developed. It uses forcefield-based dynamics through physics engines such as the General Utility Lattice Program, and can be integrated into larger computational frameworks such as the Virtual Neutron Facility for processing its dynamics into scattering functions, dynamical functions etc. It is also available as a Google App Engine-hosted web-deployed interface. Examples of a quartz molecular dynamics run and a hafnium dioxide phonon calculation are presented.