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Materials Chemistry

Working Paper

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

Zihui Song, Xudong Liu, Anish Ochani, Suling Shen, Qiqi Li, Yiwen Sun, Michael Ruggiero

Version 2 posted 15 July 2021

415

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Materials Science

Working Paper

A High-Throughput Framework for Lattice Dynamics

Zhuoying Zhu, Junsoo Park, Hrushikesh Sahasrabuddhe, Alex Ganose, Rees Chang, John Lawson, Anubhav Jain

Version 2 posted 04 October 2024

1,141

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Materials Chemistry

Working Paper

Local structure and dynamics in MPt(CN)6 Prussian blue analogues

Elodie Harbourne, Helena Barker, Quentin Guéroult, John Cattermull, Liam Nagle-Cocco, Nikolaj Roth, John Evans, David Keen, Andrew Goodwin

Version 1 posted 08 April 2024

250

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Materials Chemistry

Working Paper

Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields

Gabriel Krenzer, Johan Klarbring, Kasper Tolborg, Hugo Rossignol, Andrew R. McCluskey, Benjamin J. Morgan, Aron Walsh

Version 1 posted 14 June 2023

469

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Theoretical and Computational Chemistry

Working Paper

Quasi-Harmonic Lattice Dynamics of a Prototypical Metal-Organic Framework

Matthew R. Ryder, Jefferson Maul, Bartolomeo Civalleri, Alessandro Erba

Version 1 posted 09 May 2019

569

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Energy

Working Paper

Changing the Static and Dynamic Lattice Effects for the Improvement of the Ionic Transport Properties Within the Argyrodite Li6PS5-xSexI

Roman Schlem, Michael Ghidiu, Sean Culver, Anna-Lena Hansen, Wolfgang Zeier

Version 2 posted 02 October 2019

876

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Physical Chemistry

Working Paper

Spatially Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy

Martin Hutereau, Peter Banks, Ben Slater, J. Axel Zeitler, Andrew Bond, Michael Ruggiero

Version 1 posted 20 November 2019

529

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Inorganic Chemistry

Working Paper

α-Bi2Sn2O7: A Potential Room Temperature n-type Oxide Thermoelectric

Warda Rahim, Jonathan Skelton, David Scanlon

Version 1 posted 04 June 2020

612

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Inorganic Chemistry

Working Paper

Polymorph Exploration of Bismuth Stannate Using First-principles Phonon Mode Mapping

Warda Rahim, Jonathan Skelton, Christopher Savory, Ivana Radosavljevic Evans, John S. O. Evans, Aron Walsh, David Scanlon

Version 1 posted 19 May 2020

721

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Inorganic Chemistry

Working Paper

A Lattice Dynamical Approach for Finding the Lithium Superionic Conductor Li3ErI6

Roman Schlem, Tim Bernges, Cheng Li, Marvin Kraft, Nicolo Minafra, Wolfgang Zeier

Version 1 posted 20 January 2020

959

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Refine Search

21 results in Lattice dynamics in Keywords: Lattice dynamics

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

A High-Throughput Framework for Lattice Dynamics

Local structure and dynamics in MPt(CN)6 Prussian blue analogues

Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields

Quasi-Harmonic Lattice Dynamics of a Prototypical Metal-Organic Framework

Changing the Static and Dynamic Lattice Effects for the Improvement of the Ionic Transport Properties Within the Argyrodite Li6PS5-xSexI

Spatially Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy

α-Bi2Sn2O7: A Potential Room Temperature n-type Oxide Thermoelectric

Polymorph Exploration of Bismuth Stannate Using First-principles Phonon Mode Mapping

A Lattice Dynamical Approach for Finding the Lithium Superionic Conductor Li3ErI6

21 results in Keywords: Lattice dynamics