Cover Image

Accurate and efficient prediction of the band gaps and optical spectra of chalcopyrite semiconductors from a non-empirical range-separated dielectric-dependent hybrid: Comparison with many-body perturbation theory

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Ghosh, Arghya, Jana, Subrata, Rani, Dimple, Hossain, Manoar, Niranjan, Manish K, Samal, Prasanjit
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Advancing excited-state properties of two-dimensional materials using a dielectric-dependent hybrid functional
by: Ghosh, Arghya, et al.
Published: (2025)

An Investigation into the Thermoelectric Characteristics of Silver-based Chalcopyrites Utilizing a Non-empirical Range-separated Dielectric-dependent Hybrid Approach
by: Rani, Dimple, et al.
Published: (2024)

Meta-GGA dielectric-dependent and range-separated screened hybrid functional for reliable prediction of material properties
by: Jana, Subrata, et al.
Published: (2025)

Electric-Field and Doping-Induced Non collinear Magnetic Interactions in Monolayer Ti$_2$Si
by: Rani, Dimple, et al.
Published: (2025)

Supercurrent spin Hall effect enabled nanopillar Josephson diodes
by: Nayak, Debashree, et al.
Published: (2026)

Strain and Correlation Modulated Magnetic Anisotropy and Dzyaloshinskii--Moriya Interaction in 2D H-FeTe$_2$
by: Rani, Dimple, et al.
Published: (2025)

Accurate starting points for one-shot $G_0W_0$ and Bethe-Salpeter Equation calculations via effective tuning of range-separated hybrid functionals
by: Singh, Aditi, et al.
Published: (2026)

Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells
by: Singh, Aditi, et al.
Published: (2026)

Simplified, Physically Motivated, and Broadly Applicable Range-Separation Tuning
by: Singh, Aditi, et al.
Published: (2025)

A Note on Strongly $π$-Regular Elements
by: Goyal, Dimple Rani
Published: (2025)

Deep learning of spectra: Predicting the dielectric function of semiconductors
by: Grunert, Malte, et al.
Published: (2024)

Experimental indication for band gap widening of chalcopyrite solar cell absorbers after potassium fluoride treatment
by: Pistor, Paul
Published: (2026)

The role of effective mass and long-range interactions in the band-gap renormalization of photo-excited semiconductors
by: Reeves, Cian C., et al.
Published: (2025)

Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight-binding
by: van der Heide, Tammo, et al.
Published: (2024)

Rings in which one-sided strongly $π$-regular elements are strongly $π$-regular
by: Goyal, Dimple Rani, et al.
Published: (2025)

Telecom C-band single-photon sources with a semiconductor-dielectric microresonator
by: Serov, Yuriy, et al.
Published: (2026)

Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals
by: Ohad, Guy, et al.
Published: (2023)

Halfspace separation in geodesic convexity
by: Nair, Niranjan
Published: (2026)

Symmetry-enforced many-body separability transitions
by: Chen, Yu-Hsueh, et al.
Published: (2023)

Kinetic energy constructed from exact gradient expansion of second order in uniform gas limit
by: Bhattacharjee, Abhishek, et al.
Published: (2025)

Unraveling the Surface Stability and Chemical Reactivity of Aza-Triphenylene Monolayer under O$_2$ and H$_2$O Exposure
by: Das, Soumendra Kumar, et al.
Published: (2025)

Toward a new theory of the fractional quantum Hall effect: The many-body spectra and energy gaps at $ν<1$
by: Mikhailov, S. A.
Published: (2023)

Many-body perturbation theory vs. density functional theory: A systematic benchmark for band gaps of solids
by: Großmann, Max, et al.
Published: (2025)

Unveiling the Reactivity of Oxygen and Ozone on C2N Monolayer
by: Soumendra Kumar Das, et al.
Published: (2024)

Unveiling the Reactivity of Oxygen and Ozone on C2N Monolayer: A First-Principles Study
by: Das, Soumendra Kumar, et al.
Published: (2024)

Direct observation of electronic band gap and hot carrier dynamics in GeAs semiconductor
by: Zhang, Zailan, et al.
Published: (2024)

Emerging ultra-wide band gap semiconductors for future high-frequency electronics
by: Garrity, Emily M., et al.
Published: (2025)

Gumbel statistics for entanglement spectra of many-body localized eigenstates
by: Buijsman, Wouter, et al.
Published: (2019)

Long-range resonances in quasiperiodic many-body localization
by: Padhan, Ashirbad, et al.
Published: (2025)

Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials
by: Riebesell, Janosh, et al.
Published: (2024)

Stochastic many-body perturbation theory for high-order calculations
by: Zhen, Xin, et al.
Published: (2026)

Application of normalizing flows to nuclear many-body perturbation theory
by: Wen, Pengsheng, et al.
Published: (2024)

Tighter thermalization bounds for perturbed quantum many-body scars
by: Mao, Meng-Yun, et al.
Published: (2026)

Une brève histoire des perturbations non-hermitiennes de rang un
by: Dubach, Guillaume, et al.
Published: (2026)

Charge separation at liquid interfaces
by: Majee, Arghya, et al.
Published: (2023)

Physical and unphysical regimes of self-consistent many-body perturbation theory
by: Van Houcke, K., et al.
Published: (2021)

First Principles study of Photocatalytic Water Splitting in BO Monolayer: Effect of Strain and Surface Functionalization
by: Das, Soumendra Kumar, et al.
Published: (2025)

Structural Phase Transition and Magnetic Properties in Mn 2 −x Cu x SnS 4 ( x = 0, 0.05, 0.1, 0.6, 0.7): From Defect Rock Salt to Disordered Spinel
by: Prasanjit Agasti, et al.
Published: (2026)

Quantum search in many-body interacting system with long-range interaction
by: Xing, Fan, et al.
Published: (2024)

Dynamical properties of quantum many-body systems with long range interactions
by: Song, Menghan, et al.
Published: (2023)