Publications by authors named "N Koshi"
Article Synopsis
- The paper discusses improving band gap predictions in semiconductors by enhancing the Perdew-Burke-Ernzerhof (PBE) functional within density functional theory (DFT), addressing complexities in exchange and correlation factors.* -
- The proposed customized functionals provide a more accurate and cost-effective alternative to existing methods like DFT+ and GW or HSE hybrid functionals, facilitating easier calculations of various electronic properties.* -
- The research demonstrates that these new functionals yield comparable results to the strongly constrained and appropriately normed semilocal density functional (SCAN), aiding in the development of comprehensive band gap and dielectric property databases.*
MAX phase is a family of ceramic compounds, typically known for their metallic properties. However, we show here that some of them may be narrow bandgap semiconductors. Using a series of first-principles calculations, we have investigated the electronic structures of 861 dynamically stable MAX phases.
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- BaTiO (BTO) is a promising photocatalyst but is limited to ultraviolet light absorption; doping it with iridium (Ir) allows for visible light absorption.
- The study shows that changing the valence state of Ir enhances hydrogen generation efficiency significantly, indicating important changes in the material's optoelectronic and structural properties.
- Findings suggest that the Ir:BTO combination could improve photocatalytic performance for solar hydrogen production, making it a valuable candidate for future sustainable energy applications.
Hall scattering factors of ScCF, ScCO and ScC(OH) are calculated using Rode's iterative approach by solving the Boltzmann transport equation. This is carried out in conjunction with calculations based on density functional theory. The electrical transport in ScCF, ScCO and ScC(OH) is modelled by accounting for both elastic (acoustic and piezoelectric) and inelastic (polar optical phonon) scattering.
View Article and Find Full Text PDFBackground: Tongue lift movement (TLM) task is considered a treatment strategy in dysphagic patients. However, there is no evidence of effect of sustained tongue movements on the related muscle contraction.
Objectives: The present study aimed to characterise the properties and time-dependent changes of the electromyographic (EMG) features of suprahyoid muscles during TLM.