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Title: Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1565991
Grant/Contract Number:  
SC0019166; AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 100 Journal Issue: 7; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Chen, Hsiao-Yi, Jhalani, Vatsal A., Palummo, Maurizia, and Bernardi, Marco. Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.100.075135.
Chen, Hsiao-Yi, Jhalani, Vatsal A., Palummo, Maurizia, & Bernardi, Marco. Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules. United States. doi:10.1103/PhysRevB.100.075135.
Chen, Hsiao-Yi, Jhalani, Vatsal A., Palummo, Maurizia, and Bernardi, Marco. Fri . "Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules". United States. doi:10.1103/PhysRevB.100.075135.
@article{osti_1565991,
title = {Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules},
author = {Chen, Hsiao-Yi and Jhalani, Vatsal A. and Palummo, Maurizia and Bernardi, Marco},
abstractNote = {},
doi = {10.1103/PhysRevB.100.075135},
journal = {Physical Review B},
number = 7,
volume = 100,
place = {United States},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.100.075135

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Cited by: 2 works
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Works referenced in this record:

Exciton Band Structure in Two-Dimensional Materials
journal, February 2016


Interlayer Coupling and Gate-Tunable Excitons in Transition Metal Dichalcogenide Heterostructures
journal, November 2017


The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
journal, May 2018


Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation
journal, September 2012


Electronic structure and optical properties of silicon crystallites: Application to porous silicon
journal, October 1992

  • Proot, J. P.; Delerue, C.; Allan, G.
  • Applied Physics Letters, Vol. 61, Issue 16
  • DOI: 10.1063/1.108372

Theory and Ab Initio Calculation of Radiative Lifetime of Excitons in Semiconducting Carbon Nanotubes
journal, December 2005


Exciton Radiative Lifetimes in Two-Dimensional Transition Metal Dichalcogenides
journal, March 2015

  • Palummo, Maurizia; Bernardi, Marco; Grossman, Jeffrey C.
  • Nano Letters, Vol. 15, Issue 5
  • DOI: 10.1021/nl503799t

Fluorescence of Fluorobenzene
journal, August 1970

  • Nakamura, Kenichiro
  • The Journal of Chemical Physics, Vol. 53, Issue 3
  • DOI: 10.1063/1.1674170

First-Principles Analysis of Radiative Recombination in Lead-Halide Perovskites
journal, September 2018


High-efficiency carrier multiplication through direct photogeneration of multi-excitons via virtual single-exciton states
journal, November 2005

  • Schaller, Richard D.; Agranovich, Vladimir M.; Klimov, Victor I.
  • Nature Physics, Vol. 1, Issue 3
  • DOI: 10.1038/nphys151

Exciton dispersion from first principles
journal, October 2013


BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

  • Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A.
  • Computer Physics Communications, Vol. 183, Issue 6
  • DOI: 10.1016/j.cpc.2011.12.006

Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane
journal, June 2010


Thermodynamic origin of the slow free exciton photoluminescence rise in GaAs
journal, February 2016


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Radiative carrier lifetime, momentum matrix element, and hole effective mass in GaN
journal, February 1997

  • Im, J. S.; Moritz, A.; Steuber, F.
  • Applied Physics Letters, Vol. 70, Issue 5
  • DOI: 10.1063/1.118293

Optical and Electronic Properties of Two-Dimensional Layered Materials
journal, January 2017


Exciton diffusion in organic semiconductors
journal, January 2015

  • Mikhnenko, Oleksandr V.; Blom, Paul W. M.; Nguyen, Thuc-Quyen
  • Energy & Environmental Science, Vol. 8, Issue 7
  • DOI: 10.1039/C5EE00925A

Spontaneous and Stimulated Recombination Radiation in Semiconductors
journal, January 1964


Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices
journal, December 2013


Photon states in anisotropic media
journal, August 2002


Recent developments in the ABINIT software package
journal, August 2016


Exciton Spectrum of ZnO
journal, March 1966


Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008


Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides
journal, May 2018


Many-body perturbation theory calculations using the yambo code
journal, May 2019

  • Sangalli, D.; Ferretti, A.; Miranda, H.
  • Journal of Physics: Condensed Matter, Vol. 31, Issue 32
  • DOI: 10.1088/1361-648X/ab15d0

Thermodynamics of excitons in semiconductors
journal, March 1982


Quenching of excited states of fluorobenzene in the gas phase
journal, November 1971

  • Al-Ani, Kh.; Phillips, David
  • The Journal of Physical Chemistry, Vol. 75, Issue 24
  • DOI: 10.1021/j100693a004

Excited-State Forces within a First-Principles Green’s Function Formalism
journal, February 2003


Carbon-nanotube photonics and optoelectronics
journal, June 2008

  • Avouris, Phaedon; Freitag, Marcus; Perebeinos, Vasili
  • Nature Photonics, Vol. 2, Issue 6
  • DOI: 10.1038/nphoton.2008.94

Quantum optics of dielectric media
journal, January 1991


Effects of dynamical screening on resonances at inner-shell thresholds in semiconductors
journal, May 1984


Giant oscillator strength of free excitons in GaAs
journal, May 1987

  • p’t Hooft, G. W.; van der Poel, W. A. J. A.; Molenkamp, L. W.
  • Physical Review B, Vol. 35, Issue 15
  • DOI: 10.1103/PhysRevB.35.8281

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD
journal, March 2017

  • Jacquemin, Denis; Duchemin, Ivan; Blase, Xavier
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 7
  • DOI: 10.1021/acs.jpclett.7b00381

Photocatalytic activity and the radiative lifetimes of excitons via an ab initio approach
journal, January 2018

  • Hu, Linping; Xu, Chao; Peng, Liang
  • Journal of Materials Chemistry A, Vol. 6, Issue 31
  • DOI: 10.1039/C8TA04140G

Radiative lifetime of free excitons in quantum wells
journal, March 1991

  • Andreani, Lucio Claudio; Tassone, Francesco; Bassani, Franco
  • Solid State Communications, Vol. 77, Issue 9
  • DOI: 10.1016/0038-1098(91)90761-J

Electron-hole excitations and optical spectra from first principles
journal, August 2000


yambo: An ab initio tool for excited state calculations
journal, August 2009

  • Marini, Andrea; Hogan, Conor; Grüning, Myrta
  • Computer Physics Communications, Vol. 180, Issue 8
  • DOI: 10.1016/j.cpc.2009.02.003

Optical properties of periodic systems within the current-current response framework: Pitfalls and remedies
journal, April 2017


Exciton formation and relaxation in GaAs epilayers
journal, November 1998


Efficient pseudopotentials for plane-wave calculations
journal, January 1991