Cargando…

Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations

[Image: see text] In this work, the effect of CuPt(B) ordering on the optoelectronic properties of Ga(0.5)In(0.5)P is studied by combining in situ transmission electron microscopy measurements and density functional theory (DFT) calculations. GaInP layers were grown by metal organic vapor phase epit...

Descripción completa

Detalles Bibliográficos
Autores principales: Martín, Gemma, Coll, Catalina, López-Conesa, Lluís, Rebled, José Manuel, Barrigón, Enrique, García, Iván, Rey-Stolle, Ignacio, Algora, Carlos, Cornet, Albert, Estradé, Sònia, Peiró, Francesca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9344399/
https://www.ncbi.nlm.nih.gov/pubmed/35937183
http://dx.doi.org/10.1021/acsaelm.2c00415
_version_ 1784761209544769536
author Martín, Gemma
Coll, Catalina
López-Conesa, Lluís
Rebled, José Manuel
Barrigón, Enrique
García, Iván
Rey-Stolle, Ignacio
Algora, Carlos
Cornet, Albert
Estradé, Sònia
Peiró, Francesca
author_facet Martín, Gemma
Coll, Catalina
López-Conesa, Lluís
Rebled, José Manuel
Barrigón, Enrique
García, Iván
Rey-Stolle, Ignacio
Algora, Carlos
Cornet, Albert
Estradé, Sònia
Peiró, Francesca
author_sort Martín, Gemma
collection PubMed
description [Image: see text] In this work, the effect of CuPt(B) ordering on the optoelectronic properties of Ga(0.5)In(0.5)P is studied by combining in situ transmission electron microscopy measurements and density functional theory (DFT) calculations. GaInP layers were grown by metal organic vapor phase epitaxy with a CuPt(B) single-variant-induced ordering due to the intentional misorientation of the Ge(001) substrate. Moreover, the degree of order was controlled using Sb as the surfactant without changing other growth parameters. The presence of antiphase ordered domain boundaries (APDBs) between the ordered domains is studied as a function of the order parameter. The in situ electrical measurements on a set of samples with controlled degree of order evidence a clear anisotropic electrical conductivity at the nanoscale between the [110] and [1–10] orientations, which is discussed in terms of the presence of APDBs as a function of the degree of order. Additionally, DFT calculations allow to determine the differences in the optoelectronic properties of the compound with and without ordering through the determination of the dielectric function. Finally, the anisotropy of the electrical conductivity for the ordered case is also discussed in terms of the effective mass calculated from the band structure on specific k-paths. By comparing the experimental measurements and the theoretical calculations, two factors have been presented as the main contributors of the electric conductivity anisotropy of CuPt(B)-type ordered GaInP thin films: antiphase boundaries that separate domains with uniform order (APDBs) and the anisotropy of the effective mass due to the alternating of In/Ga rich planes.
format Online
Article
Text
id pubmed-9344399
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-93443992022-08-03 Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations Martín, Gemma Coll, Catalina López-Conesa, Lluís Rebled, José Manuel Barrigón, Enrique García, Iván Rey-Stolle, Ignacio Algora, Carlos Cornet, Albert Estradé, Sònia Peiró, Francesca ACS Appl Electron Mater [Image: see text] In this work, the effect of CuPt(B) ordering on the optoelectronic properties of Ga(0.5)In(0.5)P is studied by combining in situ transmission electron microscopy measurements and density functional theory (DFT) calculations. GaInP layers were grown by metal organic vapor phase epitaxy with a CuPt(B) single-variant-induced ordering due to the intentional misorientation of the Ge(001) substrate. Moreover, the degree of order was controlled using Sb as the surfactant without changing other growth parameters. The presence of antiphase ordered domain boundaries (APDBs) between the ordered domains is studied as a function of the order parameter. The in situ electrical measurements on a set of samples with controlled degree of order evidence a clear anisotropic electrical conductivity at the nanoscale between the [110] and [1–10] orientations, which is discussed in terms of the presence of APDBs as a function of the degree of order. Additionally, DFT calculations allow to determine the differences in the optoelectronic properties of the compound with and without ordering through the determination of the dielectric function. Finally, the anisotropy of the electrical conductivity for the ordered case is also discussed in terms of the effective mass calculated from the band structure on specific k-paths. By comparing the experimental measurements and the theoretical calculations, two factors have been presented as the main contributors of the electric conductivity anisotropy of CuPt(B)-type ordered GaInP thin films: antiphase boundaries that separate domains with uniform order (APDBs) and the anisotropy of the effective mass due to the alternating of In/Ga rich planes. American Chemical Society 2022-07-14 2022-07-26 /pmc/articles/PMC9344399/ /pubmed/35937183 http://dx.doi.org/10.1021/acsaelm.2c00415 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Martín, Gemma
Coll, Catalina
López-Conesa, Lluís
Rebled, José Manuel
Barrigón, Enrique
García, Iván
Rey-Stolle, Ignacio
Algora, Carlos
Cornet, Albert
Estradé, Sònia
Peiró, Francesca
Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations
title Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations
title_full Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations
title_fullStr Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations
title_full_unstemmed Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations
title_short Understanding the Anisotropy in the Electrical Conductivity of CuPt(B)-type Ordered GaInP Thin Films by Combining In Situ TEM Biasing and First Principles Calculations
title_sort understanding the anisotropy in the electrical conductivity of cupt(b)-type ordered gainp thin films by combining in situ tem biasing and first principles calculations
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9344399/
https://www.ncbi.nlm.nih.gov/pubmed/35937183
http://dx.doi.org/10.1021/acsaelm.2c00415
work_keys_str_mv AT martingemma understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT collcatalina understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT lopezconesalluis understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT rebledjosemanuel understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT barrigonenrique understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT garciaivan understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT reystolleignacio understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT algoracarlos understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT cornetalbert understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT estradesonia understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations
AT peirofrancesca understandingtheanisotropyintheelectricalconductivityofcuptbtypeorderedgainpthinfilmsbycombininginsitutembiasingandfirstprinciplescalculations