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Title: Structures and electronic properties of GaSe and GaS nanoribbons

Abstract

Two-dimensional (2D) semiconductor gallium monochalcogenides GaX (X = S, Se) hold great promise for future electronics and optics. In this paper, geometrical structures and electronic properties of quasi-1D pristine gallium monochalcogenide GaX (X = S, Se) nanoribbons (NRs) have been studied by means of first-principles calculations, aiming to address the edge effects of 2D GaX (X = S, Se) nanoflakes. The armchair NRs are nonmagnetic semiconductors, in which the edge distortion is observed. In the zigzag GaX NRs, they present metallic behavior for both spin-up and spin-down channels with great magnetism, except for 1-Z-NR GaSe and GaS. The spin polarization in the zigzag GaX (X = S, Se) NRs mainly originates from the unpaired electrons on the edge Ga atoms. Our present work may well complement the current studies on the layered gallium monochalcogenides GaX (X = S, Se), and other quasi-1D NRs (e.g. graphene, ZnO, and MoS2).

Authors:
 [1]
  1. Department of Chemistry; Harbin Institute of Technology; Harbin 150001; China; Center for Nanophase Materials Sciences
Publication Date:
Research Org.:
Univ. of California, Oakland, CA (United States); OAK RIDGE ASSOC UNIV
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565331
DOE Contract Number:  
AC02-05CH11231; AC05-00OR22750
Resource Type:
Journal Article
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 5; Journal Issue: 115; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Zhou, Jia. Structures and electronic properties of GaSe and GaS nanoribbons. United States: N. p., 2015. Web. doi:10.1039/c5ra14646a.
Zhou, Jia. Structures and electronic properties of GaSe and GaS nanoribbons. United States. doi:10.1039/c5ra14646a.
Zhou, Jia. Thu . "Structures and electronic properties of GaSe and GaS nanoribbons". United States. doi:10.1039/c5ra14646a.
@article{osti_1565331,
title = {Structures and electronic properties of GaSe and GaS nanoribbons},
author = {Zhou, Jia},
abstractNote = {Two-dimensional (2D) semiconductor gallium monochalcogenides GaX (X = S, Se) hold great promise for future electronics and optics. In this paper, geometrical structures and electronic properties of quasi-1D pristine gallium monochalcogenide GaX (X = S, Se) nanoribbons (NRs) have been studied by means of first-principles calculations, aiming to address the edge effects of 2D GaX (X = S, Se) nanoflakes. The armchair NRs are nonmagnetic semiconductors, in which the edge distortion is observed. In the zigzag GaX NRs, they present metallic behavior for both spin-up and spin-down channels with great magnetism, except for 1-Z-NR GaSe and GaS. The spin polarization in the zigzag GaX (X = S, Se) NRs mainly originates from the unpaired electrons on the edge Ga atoms. Our present work may well complement the current studies on the layered gallium monochalcogenides GaX (X = S, Se), and other quasi-1D NRs (e.g. graphene, ZnO, and MoS2).},
doi = {10.1039/c5ra14646a},
journal = {RSC Advances},
issn = {2046-2069},
number = 115,
volume = 5,
place = {United States},
year = {2015},
month = {1}
}

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