REPOSITORIO
INSTITUCIONAL

    • español
    • English
  • Site map
  • English 
    • español
    • English
  • Login
  • Artículos(current)
  • Libros
  • Tesis
  • Trabajos de grado
  • Documentos Institucionales
    • Actas
    • Acuerdos
    • Decretos
    • Resoluciones
  • Multimedia
  • Productos de investigación
  • Acerca de
View Item 
  •   Home
  • Artículos
  • Indexados Scopus
  • View Item
  •   Home
  • Artículos
  • Indexados Scopus
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Electronic, Optical, and Magnetic Properties of Doped Triangular MoS2 Quantum Dots: A Density Functional Theory Approach

Thumbnail
Share this
Date
2022
Author
Tiutiunnyk A
Morales A.L
Bertel R
Restrepo R.L
Nava-Maldonado F.M
Martínez-Orozco J.C
Laroze D
Duque C.A
Correa J.D
Mora-Ramos M.E.

Citación

       
TY - GEN T1 - Electronic, Optical, and Magnetic Properties of Doped Triangular MoS2 Quantum Dots: A Density Functional Theory Approach Y1 - 2022 UR - http://hdl.handle.net/11407/7448 PB - John Wiley and Sons Inc AB - A theoretical investigation on electronic states in triangular MoS2 quantum dots of different sizes is performed within density functional theory first-principles formalism. Herein, the associated interband optical response from real and imaginary parts of the dielectric function is calculated. The study considers both undoped and Al-, Si-, and P-doped systems. Spin-related magnetic properties are considered through the evaluation of total magnetic moment. It is revealed that small enough structures have a semiconductor character, but evolve to seemingly half-metallic with increasing dot size. Nonzero magnetic response is attributed to edge effects. Magnetic behavior of doped systems deviates from the linear dependence of the total magnetic moment with size occurring in the undoped case, producing situations with higher total momentum values. It is found that increasing the doping density may have certain influence over total magnetic moment response of the structures, although edge dominance is kept all the way. Optical properties are not as sensitive to incident light polarization, but they actually do with regard to the particular spin orientation. Calculation for the refraction index in the triangular quantum dots shows values still below the accepted in the MoS2 monolayer case, although a correct trend of variation is reported in this sense. © 2022 Wiley-VCH GmbH ER - @misc{11407_7448, author = {}, title = {Electronic, Optical, and Magnetic Properties of Doped Triangular MoS2 Quantum Dots: A Density Functional Theory Approach}, year = {2022}, abstract = {A theoretical investigation on electronic states in triangular MoS2 quantum dots of different sizes is performed within density functional theory first-principles formalism. Herein, the associated interband optical response from real and imaginary parts of the dielectric function is calculated. The study considers both undoped and Al-, Si-, and P-doped systems. Spin-related magnetic properties are considered through the evaluation of total magnetic moment. It is revealed that small enough structures have a semiconductor character, but evolve to seemingly half-metallic with increasing dot size. Nonzero magnetic response is attributed to edge effects. Magnetic behavior of doped systems deviates from the linear dependence of the total magnetic moment with size occurring in the undoped case, producing situations with higher total momentum values. It is found that increasing the doping density may have certain influence over total magnetic moment response of the structures, although edge dominance is kept all the way. Optical properties are not as sensitive to incident light polarization, but they actually do with regard to the particular spin orientation. Calculation for the refraction index in the triangular quantum dots shows values still below the accepted in the MoS2 monolayer case, although a correct trend of variation is reported in this sense. © 2022 Wiley-VCH GmbH}, url = {http://hdl.handle.net/11407/7448} }RT Generic T1 Electronic, Optical, and Magnetic Properties of Doped Triangular MoS2 Quantum Dots: A Density Functional Theory Approach YR 2022 LK http://hdl.handle.net/11407/7448 PB John Wiley and Sons Inc AB A theoretical investigation on electronic states in triangular MoS2 quantum dots of different sizes is performed within density functional theory first-principles formalism. Herein, the associated interband optical response from real and imaginary parts of the dielectric function is calculated. The study considers both undoped and Al-, Si-, and P-doped systems. Spin-related magnetic properties are considered through the evaluation of total magnetic moment. It is revealed that small enough structures have a semiconductor character, but evolve to seemingly half-metallic with increasing dot size. Nonzero magnetic response is attributed to edge effects. Magnetic behavior of doped systems deviates from the linear dependence of the total magnetic moment with size occurring in the undoped case, producing situations with higher total momentum values. It is found that increasing the doping density may have certain influence over total magnetic moment response of the structures, although edge dominance is kept all the way. Optical properties are not as sensitive to incident light polarization, but they actually do with regard to the particular spin orientation. Calculation for the refraction index in the triangular quantum dots shows values still below the accepted in the MoS2 monolayer case, although a correct trend of variation is reported in this sense. © 2022 Wiley-VCH GmbH OL Spanish (121)
Gestores bibliográficos
Refworks
Zotero
BibTeX
CiteULike
Metadata
Show full item record
Abstract
A theoretical investigation on electronic states in triangular MoS2 quantum dots of different sizes is performed within density functional theory first-principles formalism. Herein, the associated interband optical response from real and imaginary parts of the dielectric function is calculated. The study considers both undoped and Al-, Si-, and P-doped systems. Spin-related magnetic properties are considered through the evaluation of total magnetic moment. It is revealed that small enough structures have a semiconductor character, but evolve to seemingly half-metallic with increasing dot size. Nonzero magnetic response is attributed to edge effects. Magnetic behavior of doped systems deviates from the linear dependence of the total magnetic moment with size occurring in the undoped case, producing situations with higher total momentum values. It is found that increasing the doping density may have certain influence over total magnetic moment response of the structures, although edge dominance is kept all the way. Optical properties are not as sensitive to incident light polarization, but they actually do with regard to the particular spin orientation. Calculation for the refraction index in the triangular quantum dots shows values still below the accepted in the MoS2 monolayer case, although a correct trend of variation is reported in this sense. © 2022 Wiley-VCH GmbH
URI
http://hdl.handle.net/11407/7448
Collections
  • Indexados Scopus [2005]
All of RI UdeMCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects
My AccountLoginRegister
Statistics GTMView statistics GTM
OFERTA ACADÉMICA
  • Oferta académica completa
  • Facultad de Derecho
  • Facultad de Comunicación
  • Facultad de Ingenierías
  • Facultad de Ciencias Económicas y Administrativas
  • Facultad de Ciencias Sociales y Humanas
  • Facultad de Ciencias Básicas
  • Facultad de Diseño
SERVICIOS
  • Teatro
  • Educación continuada
  • Centro de Idiomas
  • Consultorio Jurídico
  • Centro de Asesorías y Consultorías
  • Prácticas empresariales
  • Operadora Profesional de Certámenes
INVESTIGACIÓN
  • Biblioteca
  • Centros de investigación
  • Revistas científicas
  • Repositorio institucional
  • Universidad - Empresa - Estado - Sociedad

Universidad de Medellín - Teléfono: +57 (4) 590 4500 Ext. 11422 - Dirección: Carrera 87 N° 30 - 65 Medellín - Colombia - Suramérica
© Copyright 2012 ® Todos los Derechos Reservados
Contacto

 infotegra.com