Electrons, Phonons, Electron-Phonon Scattering, and Phononics: I
FOCUS · MAR-A49 · ID: 3104005
Presentations
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Spin Relaxation and Optronics Properties of Solids from Ab-initio Density-Matrix Dynamics
ORAL · Invited
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Publication: References:
[1] "A universal spin relaxation model in solids" APS Physics Magazine, 2021. J. Xu, A. Habib, F. Wu, R. Sundararaman and Y. Ping, PRB, 104,184418 (2021)
[2] "Spin-phonon relaxation from a universal ab initio density-matrix approach", J. Xu, A. Habib, S. Kumar, F.Wu, R. Sundararaman, and Y. Ping Nat. Commun., 11, 2780, (2020)
[3] "Ab-initio Predictions of Spin Relaxation, Dephasing and Diffusion in Solids", J. Xu and Y. Ping, J. Chem.Theory Comput., 20, 492, (2023)
[4] "Giant spin lifetime anisotropy and spin-valley locking in silicene and germanene from first-principlesdensity-matrix dynamics", J. Xu et al, Nano Lett. 21, 9594, (2021)
[5] "How Spin Relaxes and Dephases in Bulk Halide Perovskites", J. Xu, K. Li, U. Huynh, J. Huang, R.Sundararaman, V. Vardeny, and Y. Ping, Nat. Commun., 15, 188, (2024)
[6] "Spin Dynamics in Hybrid Halide Perovskites -Effect of Dynamical and Permanent Symmetry Breaking", K. Li, J. Xu, U. Huynh, R. Bodin, M. Gupta, C. Multunas, J. Simoni, R. Sundararaman, Z.V. Verdany, and Y. Ping, under revision, https://arxiv.org/abs/2409.13200
[7] "Circular Dichroism of Crystals from First Principles", C. Multunas, A. Grieder, J. Xu, Y. Ping, R.Sundararaman, Phys. Rev. Mater., 7, 123801, (2023)
[8]"Proximity-Effect-Induced Remote Chirality Transfer in Hybrid Metal Halide Semiconductors",M. Azimul Haque, A. Grieder, et al, Nat. Chem., (2024).
Presenters
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Yuan Ping
- University of Wisconsin - Madison
Authors
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Yuan Ping
- University of Wisconsin - Madison
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Abstract Withdrawn
ORAL · Withdrawn
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Electromagnons in CrI<sub>3</sub> from nonadiabatic DFPT at constrained magnetic moments
ORAL
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Presenters
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Miguel Royo Valls
- Institut de Ciencia de Materials de Barcelona
Authors
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Miguel Royo Valls
- Institut de Ciencia de Materials de Barcelona
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Massimiliano Stengel
- ICREA-Inst Catalana de Recerca i Estudis Avancats
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Phonon-magnon band structures in CrI3: Fundamental calculations, band topology, and thermal Hall effect
ORAL
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Publication: [1] Shang Ren, John Bonini, Massimiliano Stengel, Cyrus E. Dreyer, and David Vanderbilt, Adiabatic Dynamics of Coupled Spins and Phonons in Magnetic Insulators, Phys. Rev. X 14,011041 (2024)
[2] John Bonini, Shang Ren, David Vanderbilt, Massimiliano Stengel, Cyrus E Dreyer, Sinisa Coh, Frequency Splitting of Chiral Phonons from Broken Time-Reversal Symmetry in CrI3, Phys. Rev. Lett. 130, 086701 (2023)
[3] Miquel Royo and Massimiliano Stengel, unpublishedPresenters
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Shang Ren
- University of California, Berkeley
Authors
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Shang Ren
- University of California, Berkeley
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Miguel Royo Valls
- Institut de Ciencia de Materials de Barcelona
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Massimiliano Stengel
- ICREA-Inst Catalana de Recerca i Estudis Avancats
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David Vanderbilt
- Rutgers University
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Efficient GPU parallelization of first-principles electron-phonon calculations
ORAL
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Presenters
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Shiyu Peng
- Caltech
Authors
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Shiyu Peng
- Caltech
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Donnie Pinkston
- Caltech
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Jia Yao
- Caltech
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Sergei Kliavinek
- Caltech
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Ivan Maliyov
- EPFL
- CNRS
- Aix-Marseille Universite
- Caltech
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Marco Bernardi
- Caltech
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First-principles mobilities with hybrid and Koopmans functionals
ORAL
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Publication: A. Poliukhin, N. Colonna, S. Poncé, N. Marzari, "First-principles mobilities with beyond-DFT functionals" (to be submitted)
Presenters
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Aleksandr Poliukhin
- Ecole Polytechnique Federale de Lausanne
Authors
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Aleksandr Poliukhin
- Ecole Polytechnique Federale de Lausanne
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Nicola Colonna
- Paul Scherrer Institute
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Samuel Poncé
- UCLouvain
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Nicola Marzari
- Ecole Polytechnique Federale de Lausanne
- École Polytechnique Fédérale de Lausanne (EPFL)
- Ecole Polytechnique Federale de Lausanne (EPFL), Paul Scherrer Institut (PSI)
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Phonon-limited Charge Carrier Mobilities in Layered Metal Halide Perovskites
ORAL
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Publication: B. Cucco et al., PRX Energy 3, 023012, 2024.
Presenters
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Bruno Cucco
- University of Texas at Austin
Authors
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Bruno Cucco
- University of Texas at Austin
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Joshua A Leveillee
- Los Alamos National Laboratory
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Viet-Anh Ha
- University of Texas at Austin
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Jacky Even
- INSA Rennes FOTON CNRS
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Mikael Kepenekian
- Univ Rennes, ENSCR, INSA Rennes, CNRS, ISCR - UMR 6226, F-35000 Rennes, France
- Universite de Rennes
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George Volonakis
- Universite de Rennes
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Feliciano Giustino
- University of Texas at Austin
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Electronic transport in the type-I Weyl semimetal TaAs family from first principles
ORAL
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Presenters
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Zhe Liu
- SUNY Binghamton University
Authors
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Zhe Liu
- SUNY Binghamton University
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Shashi M Mishra
- SUNY Binghamton University
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Jae-Mo Lihm
- Université catholique de Louvain
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Samuel Poncé
- Université catholique de Louvain
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Elena R Margine
- Binghamton University
- SUNY Binghamton University
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First-principles magnetotransport with band topology for quantitative modeling of chiral anomaly and nonlinear Hall effect
ORAL
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Presenters
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Dhruv C Desai
- Caltech
Authors
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Dhruv C Desai
- Caltech
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Jin-Jian Zhou
- Beijing Institute of Technology
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Shiyu Peng
- Caltech
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Jinsoo Park
- University of Chicago
- Caltech
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Marco Bernardi
- Caltech
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Anharmonic Phonon Effects on Spin Dynamics in Solids
ORAL
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Presenters
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Joshua Scott Quinton
- Rensselaer Polytechnic Institute
Authors
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Joshua Scott Quinton
- Rensselaer Polytechnic Institute
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Kejun LI
- University of California, Santa Cruz
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Mayada Fadel
- Rensselaer Polytechnic Institute
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Olle Hellman
- Weizmann Institute of Science
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Yuan Ping
- University of Wisconsin - Madison
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Ravishankar Sundararaman
- Rensselaer Polytechnic Institute
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Ab-initio spatio-temporal spin transport with electron-phonon scattering in a density-matrix formalism
ORAL
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Presenters
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Mayada Fadel
- Rensselaer Polytechnic Institute
Authors
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Mayada Fadel
- Rensselaer Polytechnic Institute
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Joshua Scott Quinton
- Rensselaer Polytechnic Institute
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Mani Chandra
- nOhm Devices, Inc.
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Mayank Gupta
- University of Wisconsin - Madison
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Yuan Ping
- University of Wisconsin - Madison
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Ravishankar Sundararaman
- Rensselaer Polytechnic Institute
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First principles analysis of phonon-induced spin-orbit torques
ORAL
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Presenters
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Lauren Tan
- Caltech
Authors
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Lauren Tan
- Caltech
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Jinsoo Park
- University of Chicago
- Caltech
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Marco Bernardi
- Caltech
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Enhancing the Spin Hall Angle in Bi<sub>2</sub>Se<sub>3</sub> through Bi Layer Incorporation: A First-Principles Investigation
ORAL
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Presenters
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Dameul Jeong
- Kyung Hee University - Seoul
Authors
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Dameul Jeong
- Kyung Hee University - Seoul
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Young-Kyun Kwon
- Kyung Hee University - Seoul
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