Cargando…

Band Gaps and Optical Properties of RENiO(3) upon Strain: Combining First-Principles Calculations and Machine Learning

Rare earth nickel-based perovskite oxides (RENiO(3)) have been widely studied over recent decades because of their unique properties. In the synthesis of RENiO(3) thin films, a lattice mismatch frequently exists between the substrates and the thin films, which may affect the optical properties of RE...

Descripción completa

Detalles Bibliográficos
Autores principales:	Tang, Xuchang, Luo, Zhaokai, Cui, Yuanyuan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10140892/ https://www.ncbi.nlm.nih.gov/pubmed/37109905 http://dx.doi.org/10.3390/ma16083070

Ejemplares similares

Opening a Band Gap in Biphenylene Monolayer via Strain: A First-Principles Study
por: Hou, Yinlong, et al.
Publicado: (2023)

Strain sensitivity of band structure and electron mobility in perovskite BaSnO(3): first-principles calculation
por: Wang, Yaqin, et al.
Publicado: (2019)

Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids
por: Borlido, Pedro, et al.
Publicado: (2020)

Proteins with two SUMO-like domains in chromatin-associated complexes: The RENi (Rad60-Esc2-NIP45) family
por: Novatchkova, Maria, et al.
Publicado: (2005)

Cytoreductive Nephrectomy and Overall Survival of Patients with Metastatic Renal Cell Carcinoma Treated with Targeted Therapy—Data from the National Renis Registry
por: Poprach, Alexandr, et al.
Publicado: (2020)

The clinical outcomes of reni-angiotensin system inhibitors for patients after transcatheter aortic valve replacement: A systematic review and meta-analysis
por: Wang, Shuai, et al.
Publicado: (2022)

First-principles analysis for the modulation of energy band gap and optical characteristics in HgTe/CdTe superlattices
por: Laref, A., et al.
Publicado: (2019)

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices
por: Monastyrskii, Liubomyr S., et al.
Publicado: (2017)

Schottky barrier formation and band bending revealed by first- principles calculations
por: Jiao, Yang, et al.
Publicado: (2015)

GW‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe(2)O(4): Effect of Cation Distribution and Spin Configuration
por: Ulpe, Anna C., et al.
Publicado: (2020)

Band gap maps beyond the delocalization limit: correlation between optical band gaps and plasmon energies at the nanoscale
por: Zhan, Wei, et al.
Publicado: (2018)

A band-gap database for semiconducting inorganic materials calculated with hybrid functional
por: Kim, Sangtae, et al.
Publicado: (2020)

Vivid colours in hyperuniform complex-index photonic structures by resonant interference of photonic band gaps and optical band gaps
por: Seo, Chunhee, et al.
Publicado: (2018)

Strain-Tunable Electronic Properties and Band Alignments in GaTe/C(2)N Heterostructure: a First-Principles Calculation
por: Li, Xiao-Huan, et al.
Publicado: (2018)

First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets
por: Lin, Linhan, et al.
Publicado: (2009)

Effects of Deposition and Annealing Temperature on the Structure and Optical Band Gap of MoS(2) Films
por: Chen, Gongying, et al.
Publicado: (2020)

The theoretical direct-band-gap optical gain of Germanium nanowires
por: Xiong, Wen, et al.
Publicado: (2020)

Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory
por: Tran, Fabien, et al.
Publicado: (2017)

Band Alignment of the CuGaS(2) Chalcopyrite Interfaces Studied by First-Principles Calculations
por: Castellanos-Águila, Jesús Eduardo, et al.
Publicado: (2020)

Band structural and absorption characteristics of antimonene/bismuthene monolayer heterojunction calculated by first-principles
por: Zhan, Yanyan, et al.
Publicado: (2022)

Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO(2)
por: Waterhouse, G. I. N., et al.
Publicado: (2013)

Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites
por: Walsh, Aron
Publicado: (2015)

High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics
por: Lee, Miso, et al.
Publicado: (2018)

Effect of ZnO on the Physical Properties and Optical Band Gap of Soda Lime Silicate Glass
por: Zaid, Mohd Hafiz Mohd, et al.
Publicado: (2012)

Bio-Inspired Band-Gap Tunable Elastic Optical Multilayer Fibers
por: Kolle, Mathias, et al.
Publicado: (2013)

Optical Band Gap Alteration of Graphene Oxide via Ozone Treatment
por: Hasan, Md Tanvir, et al.
Publicado: (2017)

Atomic and electronic structures of charge-doping VO(2): first-principles calculations
por: Chen, Lanli, et al.
Publicado: (2020)

Optical properties of dense lithium in electride phases by first-principles calculations
por: Yu, Zheng, et al.
Publicado: (2018)

Optical Properties of Graphene/MoS(2) Heterostructure: First Principles Calculations
por: Qiu, Bin, et al.
Publicado: (2018)

Stability and optical properties of plutonium monoxide from first-principle calculation
por: Qiu, Ruizhi, et al.
Publicado: (2017)

Machine Learning Band Gaps of Doped-TiO(2) Photocatalysts from Structural and Morphological Parameters
por: Zhang, Yun, et al.
Publicado: (2020)

ZnO thin film-nanowire array homo-structures with tunable photoluminescence and optical band gap
por: Rajesh, Yalambaku, et al.
Publicado: (2020)

Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths
por: Zhang, Rui, et al.
Publicado: (2015)

Optical Absorption Exhibits Pseudo-Direct Band Gap of Wurtzite Gallium Phosphide
por: da Silva, Bruno C., et al.
Publicado: (2020)

From Green Remediation to Polymer Hybrid Fabrication with Improved Optical Band Gaps
por: Brza, M. A., et al.
Publicado: (2019)

Tunable band gaps and optical absorption properties of bent MoS(2) nanoribbons
por: Tang, Hong, et al.
Publicado: (2022)

Introduction of Near to Far Infrared Range Direct Band Gaps in Graphene: A First Principle Insight
por: Kumar, Jeevesh, et al.
Publicado: (2021)

Cu-Doped ZnO Electronic Structure and Optical Properties Studied by First-Principles Calculations and Experiments
por: Ma, Zhanhong, et al.
Publicado: (2019)

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy
por: Wu, Qian, et al.
Publicado: (2020)

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations
por: Castillo-Quevedo, César, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_c0d6att2311vm7a8jmp3gn3iju