A charge optimized many-body potential for iron/iron-fluoride systems-Reference-Cited by-同舟云学术

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A charge optimized many-body potential for iron/iron-fluoride systems

Published:2019 Issue:36 Volume:21 Page:20118-20131
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tangarife E.¹²³⁴⁵,Romero A. H.⁶⁷⁸⁹^ORCID,Mejía-López J.¹²³⁴⁵^ORCID

Affiliation:

1. Centro de Investigación en Nanotecnología y Materiales Avanzados CIEN-UC

2. Facultad de Física

3. Pontificia Universidad Católica de Chile

4. CEDENNA

5. Santiago

6. Physics Department

7. West Virginia University

8. Morgantown

9. USA

Abstract

A classical interatomic potential for iron/iron-fluoride systems is developed in the framework of the charge optimized many-body (COMB) potential.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

National Science Foundation

Comisión Nacional de Investigación Científica y Tecnológica

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01927H

Reference84 articles.

1. The spin‐phonon interaction in FeF2and MnF2studied by Raman spectroscopy

2. Magnon squeezing in antiferromagneticMnF2andFeF2

3. B1gmode softening in FeF2

4. Specific heat, thermal diffusivity, and thermal conductivity ofFeF2at the Néel temperature

5. EELS Spectroscopy of Iron Fluorides and FeFx/C Nanocomposite Electrodes Used in Li-Ion Batteries

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