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Effects of Octahedral Tilting on Band Structure and Thermoelectric Power Factor of Titanate Perovskites: A First-Principles Study on SrTiO3 | The Journal of Physical Chemistry C
Effects of Octahedral Tilting on Band Structure and Thermoelectric Power Factor of Titanate Perovskites: A First-Principles Study on SrTiO3 | The Journal of Physical Chemistry C

Indirect-to-direct band gap transition of the ZrS2 monolayer by strain: first-principles calculations - RSC Advances (RSC Publishing)
Indirect-to-direct band gap transition of the ZrS2 monolayer by strain: first-principles calculations - RSC Advances (RSC Publishing)

First-principles study of the band gap tuning and doping control in CdSe<sub><i>x</i></sub>Te<sub>1−<i>x</i></sub> alloy for high efficiency solar cell
First-principles study of the band gap tuning and doping control in CdSe<sub><i>x</i></sub>Te<sub>1−<i>x</i></sub> alloy for high efficiency solar cell

The band structure and optical absorption of hematite (α-Fe2O3): a first- principles GW-BSE study - Physical Chemistry Chemical Physics (RSC Publishing)
The band structure and optical absorption of hematite (α-Fe2O3): a first- principles GW-BSE study - Physical Chemistry Chemical Physics (RSC Publishing)

P-N Junction Energy Band Gap
P-N Junction Energy Band Gap

First principle study of band gap nature, spontaneous polarization, hyperfine field and electric field gradient of desirable multiferroic bismuth ferrite (BiFeO3) - ScienceDirect
First principle study of band gap nature, spontaneous polarization, hyperfine field and electric field gradient of desirable multiferroic bismuth ferrite (BiFeO3) - ScienceDirect

Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation - Berger - 2018 - Chemistry – A European Journal - Wiley Online Library
Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation - Berger - 2018 - Chemistry – A European Journal - Wiley Online Library

First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties - ScienceDirect
First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties - ScienceDirect

Basic principle of bandgap reference [5] | Download Scientific Diagram
Basic principle of bandgap reference [5] | Download Scientific Diagram

PDF] Nature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy. | Semantic Scholar
PDF] Nature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy. | Semantic Scholar

Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles – Ping Group
Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles – Ping Group

Band gap, explained by RP Photonics Encyclopedia; dielectrics, semiconductors, metals, energy, electronic levels, band gap wavelength, absorption, emission, fluorescence
Band gap, explained by RP Photonics Encyclopedia; dielectrics, semiconductors, metals, energy, electronic levels, band gap wavelength, absorption, emission, fluorescence

Zero-point renormalization of the band gap: comparison between... | Download Scientific Diagram
Zero-point renormalization of the band gap: comparison between... | Download Scientific Diagram

PDF] Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites | Semantic Scholar
PDF] Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites | Semantic Scholar

First-principles calculation of intrinsic defect chemistry and self-doping in PbTe | npj Computational Materials
First-principles calculation of intrinsic defect chemistry and self-doping in PbTe | npj Computational Materials

Band structure of pristine graphene calculated by using first principle... | Download Scientific Diagram
Band structure of pristine graphene calculated by using first principle... | Download Scientific Diagram

Band diagram - Wikipedia
Band diagram - Wikipedia

Light emission from direct band gap germanium containing split-interstitial defects
Light emission from direct band gap germanium containing split-interstitial defects

Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials | CCS Chem
Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials | CCS Chem

Band gap - Wikipedia
Band gap - Wikipedia

Band structure engineering of monolayer MoS2 on h-BN: first-principles calculations - IOPscience
Band structure engineering of monolayer MoS2 on h-BN: first-principles calculations - IOPscience

First-principles study of the band gap tuning and doping control in CdSe<sub><i>x</i></sub>Te<sub>1−<i>x</i></sub> alloy for high efficiency solar cell
First-principles study of the band gap tuning and doping control in CdSe<sub><i>x</i></sub>Te<sub>1−<i>x</i></sub> alloy for high efficiency solar cell

Band gap engineering of early transition-metal-doped anatase TiO2: first principles calculations - Physical Chemistry Chemical Physics (RSC Publishing)
Band gap engineering of early transition-metal-doped anatase TiO2: first principles calculations - Physical Chemistry Chemical Physics (RSC Publishing)

First-principles study of the band gap tuning and doping control in CdSe<sub><i>x</i></sub>Te<sub>1−<i>x</i></sub> alloy for high efficiency solar cell
First-principles study of the band gap tuning and doping control in CdSe<sub><i>x</i></sub>Te<sub>1−<i>x</i></sub> alloy for high efficiency solar cell

Bonding in Metals and Semiconductors
Bonding in Metals and Semiconductors

Nature of the bandgap in In2O3 revealed by first-principles calculations & X-ray spectroscopy - Speaker Deck
Nature of the bandgap in In2O3 revealed by first-principles calculations & X-ray spectroscopy - Speaker Deck