Exploring correlation effects and volume collapse during electride dimensionality change in Ca<sub><b>2</b></sub>N-Reference-Cited by-同舟云学术

Exploring correlation effects and volume collapse during electride dimensionality change in Ca₂N

Published:2023 Issue:45 Volume:25 Page:30960-30965
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Novoselov Dmitry Y.¹²³^ORCID,Mazannikova Mary A.¹²³^ORCID,Korotin Dmitry M.¹²^ORCID,Shorikov Alexey O.¹²³^ORCID,Anisimov Vladimir I.¹²³,Oganov Artem R.²^ORCID

Affiliation:

1. M.N. Mikheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 18 S. Kovalevskaya St., Yekaterinburg, 620108, Russia

2. Skolkovo Institute of Science and Technology, Bolshoy Blvd., 30, p.1, Moscow 121205, Russia

3. Department of Theoretical Physics and Applied Mathematics, Ural Federal University, 19 Mira St., Yekaterinburg, 620002, Russia

Abstract

Correlation effects on the interstitial electronic states of Ca2N electride make a significant contribution to the metal-semiconductor transition and the resulting volume collapse, as the dimensionality of the space housing excess electrons reducess.

Funder

Russian Science Foundation

Ministry of Science and Higher Education of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP04472F

Reference32 articles.

1. Electrons in Cement

2. High Pressure Electrides: A Predictive Chemical and Physical Theory

3. High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms

4. Computational Discovery of Inorganic Electrides from an Automated Screening

5. Interplay between the Coulomb Interaction and Hybridization in Ca and Anomalous Pressure Dependence of the Resistivity

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1. Electronic correlations and intrinsic magnetism of interstitial quasi-atomic states in Li₈Au electride;Physical Chemistry Chemical Physics;2024

2. Dimensionality-Driven Evolution of Electronic Structure and Transport Properties in Pressure-Induced Phases of Ca2N Electride;JETP Letters;2023-10-30