Electronic and optical properties of core–shell InAlN nanorods: a comparative study via LDA, LDA-1/2, mBJ, HSE06, G0W0 and BSE methods-Reference-Cited by-同舟云学术

Electronic and optical properties of core–shell InAlN nanorods: a comparative study via LDA, LDA-1/2, mBJ, HSE06, G₀W₀ and BSE methods

Published:2024 Issue:9 Volume:26 Page:7504-7514
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Pela Ronaldo Rodrigues¹^ORCID,Hsiao Ching-Lien²,Hultman Lars²,Birch Jens²,Gueorguiev Gueorgui Kostov²^ORCID

Affiliation:

1. Supercomputing Department, Zuse Institute Berlin (ZIB), Takustraße 7, 14195 Berlin, Germany

2. Thin film Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE 581 83 Linköping, Sweden

Abstract

The DFT-based approaches LDA-1/2, mBJ, and HSE06 are valuable tools for investigating the electronic and optical properties of core–shell InAlN nanorods. They can approximate the state-of-the-art methods GW and BSE with much lower computational cost.

Funder

Vetenskapsrådet

Energimyndigheten

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05295H

Reference111 articles.

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