Dynamical electron-phonon coupling, GW self-consistency, and vertex effect on the electronic band gap of ice and liquid water

2017 ◽  
Vol 95 (23) ◽  
Author(s):  
Vafa Ziaei ◽  
Thomas Bredow
Keyword(s):  
Band Gap ◽  
Liquid Water ◽  
Phonon Coupling ◽  
Electronic Band ◽  
Electron Phonon Coupling ◽  
Electronic Band Gap ◽  
Self Consistency

Tailored Electronic Band Gap and Valance Band Edge of Nickel Oxide via p-Type Incorporation

2021 ◽  
Vol 125 (13) ◽  
pp. 7495-7501
Author(s):  
Gang Wang ◽  
Jinju Zheng ◽  
Boyi Xu ◽  
Chaonan Zhang ◽  
Yue Zhu ◽  
...  
Keyword(s):  
Nickel Oxide ◽  
Band Gap ◽  
Band Edge ◽  
Electronic Band ◽  
Electronic Band Gap ◽  
P Type

scholarly journals Resonance and antiresonance in Raman scattering in GaSe and InSe crystals

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. Osiekowicz ◽  
D. Staszczuk ◽  
K. Olkowska-Pucko ◽  
Ł. Kipczak ◽  
M. Grzeszczyk ◽  
...  
Keyword(s):  
Raman Scattering ◽  
Temperature Effect ◽  
Band Gap ◽  
Raman Spectra ◽  
Quantum Interference ◽  
Optical Band Gap ◽  
Phonon Coupling ◽  
Phonon Modes ◽  
Electron Phonon Coupling ◽  
Resonant Raman

AbstractThe temperature effect on the Raman scattering efficiency is investigated in $$\varepsilon$$ ε -GaSe and $$\gamma$$ γ -InSe crystals. We found that varying the temperature over a broad range from 5 to 350 K permits to achieve both the resonant conditions and the antiresonance behaviour in Raman scattering of the studied materials. The resonant conditions of Raman scattering are observed at about 270 K under the 1.96 eV excitation for GaSe due to the energy proximity of the optical band gap. In the case of InSe, the resonant Raman spectra are apparent at about 50 and 270 K under correspondingly the 2.41 eV and 2.54 eV excitations as a result of the energy proximity of the so-called B transition. Interestingly, the observed resonances for both materials are followed by an antiresonance behaviour noticeable at higher temperatures than the detected resonances. The significant variations of phonon-modes intensities can be explained in terms of electron-phonon coupling and quantum interference of contributions from different points of the Brillouin zone.

scholarly journals Evidence of direct electronic band gap in two-dimensional van der Waals indium selenide crystals

2019 ◽  
Vol 3 (3) ◽  
Author(s):  
Hugo Henck ◽  
Debora Pierucci ◽  
Jihene Zribi ◽  
Federico Bisti ◽  
Evangelos Papalazarou ◽  
...  
Keyword(s):  
Band Gap ◽  
Van Der Waals ◽  
Indium Selenide ◽  
Two Dimensional ◽  
Electronic Band ◽  
Electronic Band Gap

Disentangling Electron–Phonon Coupling and Thermal Expansion Effects in the Band Gap Renormalization of Perovskite Nanocrystals

2020 ◽  
pp. 569-575
Author(s):  
Andrea Rubino ◽  
Adrián Francisco-López ◽  
Alex J. Barker ◽  
Annamaria Petrozza ◽  
Mauricio E. Calvo ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Band Gap ◽  
Phonon Coupling ◽  
Perovskite Nanocrystals ◽  
Electron Phonon Coupling

Pressure Dependence of the Electronic Band Gap in 6HSic

1996 ◽  
Vol 198 (1) ◽  
pp. 81-86 ◽  
Author(s):  
F. Engelbrecht ◽  
J. Zeman ◽  
G. Wellenhofer ◽  
C. Peppermüller ◽  
R. Helbig ◽  
...  
Keyword(s):  
Band Gap ◽  
Pressure Dependence ◽  
Electronic Band ◽  
Electronic Band Gap

Electronic Band Gap Reduction in Manganese Carbodiimide: MnNCN

2013 ◽  
Vol 117 (24) ◽  
pp. 12754-12761 ◽  
Author(s):  
Teak D. Boyko ◽  
Robert J. Green ◽  
Richard Dronskowski ◽  
Alexander Moewes
Keyword(s):  
Band Gap ◽  
Electronic Band ◽  
Electronic Band Gap

Tuning the binding energy of excitons in the MoS2 monolayer by molecular functionalization and defective engineering

2020 ◽  
Vol 22 (21) ◽  
pp. 11936-11942
Author(s):  
Kangli Wang ◽  
Beate Paulus
Keyword(s):  
Absorption Spectrum ◽  
Binding Energy ◽  
Optical Absorption ◽  
Band Gap ◽  
Optical Absorption Spectrum ◽  
Exciton Binding Energy ◽  
Electronic Band ◽  
Mos2 Monolayer ◽  
Electronic Band Gap

Using the DFT-GW-BSE method, we analyze how the electronic band gap, optical absorption spectrum and exciton binding energy of the MoS2 monolayer are influenced by NO and C3H3N3 molecules and S-defects.

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