Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange-Reference-Cited by-同舟云学术

Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange

Published:2017 Issue:4 Volume:19 Page:2826-2833
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ramírez-Solís A.¹²³⁴⁵,Zicovich-Wilson C. M.¹²³⁴⁵,Hernández-Lamoneda R.⁶³⁵^ORCID,Ochoa-Calle A. J.⁷⁸⁹¹⁰

Affiliation:

1. Depto. de Física

2. Centro de Investigación en Ciencias

3. IICBA. Universidad Autónoma del Estado de Morelos

4. Cuernavaca

5. Mexico

6. Centro de Investigaciones Químicas

7. Departamento de Ciencias Físicas

8. Universidad EAFIT

9. Medellín

10. Colombia

Abstract

The question of the non-magnetic (NM) vs. antiferromagnetic (AF) nature of the ε phase of solid oxygen is a matter of great interest and continuing debate.

Funder

Consejo Nacional de Ciencia y Tecnología

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP07445F

Reference35 articles.

1. Solid oxygen

2. New High-Pressure Structural Transition of Oxygen at 96 GPa Associated with Metallization in a Molecular Solid

3. Structural phase transitions of solid oxygen at low temperature and high pressure