<abstract xmlns="http://www.w3.org/1999/xhtml">

<p>To study the electronic structure of Sb and Sm co-doped SnO2 materials, a lattice model of Sb and Sm co-doped SnO2 is designed in this paper based on a big data analysis algorithm. The physical properties of the SnO2 ground state are described by the particle density function using the density generalized function theory. The interactions between the particles are all subsumed into the exchange-correlation generalized function by the Kohn-Sham equation. A big data analysis algorithm is used to construct the electron wave function to reflect the luminescence mechanism of the spectrum produced by the electron leap between energy levels, which makes the computational effort significantly reduced. The results show that the enthalpy change of Sb and Sm co-doped SnO2 in the design model of this paper is −5.59918, and the energy interval of the density of states of s orbitals is [2.36, 31.45]. It can be seen that the co-doping of Sm and Sb can increase the electron polarization ability and electron leap probability of SnO2 in the infrared band and enhance the infrared reflectivity, and the co-doped system has the highest electron-binding ability reflectivity.</p>
</abstract>

To study the electronic structure of Sb and Sm co-doped SnO2 materials, a lattice model of Sb and Sm co-doped SnO2 is designed in this paper based on a big data analysis algorithm. The physical properties of the SnO2 ground state are described by the particle density function using the density generalized function theory. The interactions between the particles are all subsumed into the exchange-correlation generalized function by the Kohn-Sham equation. A big data analysis algorithm is used to construct the electron wave function to reflect the luminescence mechanism of the spectrum produced by the electron leap between energy levels, which makes the computational effort significantly reduced. The results show that the enthalpy change of Sb and Sm co-doped SnO2 in the design model of this paper is −5.59918, and the energy interval of the density of states of s orbitals is [2.36, 31.45]. It can be seen that the co-doping of Sm and Sb can increase the electron polarization ability and electron leap probability of SnO2 in the infrared band and enhance the infrared reflectivity, and the co-doped system has the highest electron-binding ability reflectivity.

First principles study of the electronic structure of antimony (Sb) and samarium (Sm) doped tin dioxide (SnO2) based on big data analysis

Applied Mathematics and Nonlinear Sciences

This work is licensed under the Creative Commons Attribution 4.0 International License.

To study the electronic structure of Sb and Sm co-doped SnO2 materials, a lattice model of Sb and Sm co-doped SnO2 is designed in this paper based on a big...

First principles study of the electronic structure of antimony (Sb) and samarium (Sm) doped tin dioxide (SnO2) based on big data analysis

Publicado en línea: 09 oct 2023

Páginas: -

Recibido: 09 dic 2022

Aceptado: 19 abr 2023

DOI: https://doi.org/10.2478/amns.2023.2.00544

Palabras clave
Lattice model, Electron-binding capacity, Density generalization, Enthalpy change value, Density of states

© 2023 Danjuan Liu et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

First principles study of the electronic structure of antimony (Sb) and samarium (Sm) doped tin dioxide (SnO2) based on big data analysis

Publicado en línea: 09 oct 2023

Páginas: -

Recibido: 09 dic 2022

Aceptado: 19 abr 2023

DOI: https://doi.org/10.2478/amns.2023.2.00544

Palabras claveLattice model, Electron-binding capacity, Density generalization, Enthalpy change value, Density of states

© 2023 Danjuan Liu et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

Palabras clave
Lattice model, Electron-binding capacity, Density generalization, Enthalpy change value, Density of states