Two-dimensional perovskite oxide as a photoactive high-κ gate dielectric

S Li, X Liu, H Yang, H Zhu, X Fang - Nature Electronics, 2024 - nature.com
High dielectric constant (high-κ) gate dielectrics compatible with two-dimensional (2D)
semiconductors are essential for scaled optoelectronic devices. However, conventional …

A band-gap database for semiconducting inorganic materials calculated with hybrid functional

S Kim, M Lee, C Hong, Y Yoon, H An, D Lee, W Jeong… - Scientific Data, 2020 - nature.com
Semiconducting inorganic materials with band gaps ranging between 0 and 5 eV constitute
major components in electronic, optoelectronic and photovoltaic devices. Since the band …

Structural, electronic, elastic, power, and transport properties of from first principles

S Poncé, F Giustino - Physical Review Research, 2020 - APS
We investigate the structural, electronic, vibrational, power, and transport properties of the β
allotrope of Ga 2 O 3 from first principles. We find phonon frequencies and elastic constants …

Smart Home Sleep Respiratory Monitoring System Based on a Breath-Responsive Covalent Organic Framework

M Yan, Q Hao, S Diao, F Zhou, C Yichen, N Jiang… - ACS …, 2023 - ACS Publications
A smart home sleep respiratory monitoring system based on a breath-responsive covalent
organic framework (COF) was developed and utilized to monitor the sleep respiratory …

Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations

A Takahashi, Y Kumagai, J Miyamoto, Y Mochizuki… - Physical Review …, 2020 - APS
Prediction models of both the electronic and ionic contributions to the static dielectric
constants have been constructed using data from density functional perturbation theory …

Prediction of dielectric constants of ABO 3-type perovskites using machine learning and first-principles calculations

E Kim, J Kim, K Min - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
In this study, the machine-learning method, combined with density functional perturbation
theory (DFPT) calculations, was implemented to predict and validate the dielectric constants …

A guide to discovering next-generation semiconductor materials using atomistic simulations and machine learning

A Mannodi-Kanakkithodi - Computational Materials Science, 2024 - Elsevier
With massive influx of new funding and emergence of modern facilities and centers, the area
of semiconductor manufacturing and processing has attained national and global …

Modeling the dielectric constants of crystals using machine learning

K Morita, DW Davies, KT Butler, A Walsh - The Journal of Chemical …, 2020 - pubs.aip.org
The relative permittivity of a crystal is a fundamental property that links microscopic chemical
bonding to macroscopic electromagnetic response. Multiple models, including analytical …

Enhancement of dielectric properties and conduction mechanism in BaTi0. 85Sn0. 15O3 for energy storage application

S Dutta, MS Ali, AM Tama, MM Parvez, H Ferdous… - Journal of Energy …, 2023 - Elsevier
To achieve cost effective materials with improved dielectric properties, BaTiO 3 and BaTi
0.85 Sn 0.15 O 3 have been prepared by solid state reaction technique introducing a two …

Structural properties, bandgap, and complex dielectric function in Bi2Te3 thermoelectric by valence electron energy loss spectroscopy (VEELS) analysis

G Resendiz-Hernandez, JE Leal-Perez… - Journal of Alloys and …, 2023 - Elsevier
This article describes the results and discussion performed to analyze the bandgap,
optoelectronic properties, and complex dielectric function of Bi 2 Te 3 thermoelectric …