Phonon-assisted optical absorption in 
BaSnO3
 from first principles

Bartomeu Monserrat; Cyrus E. Dreyer; Karin M. Rabe

doi:10.1103/physrevb.97.104310

Phonon-assisted optical absorption in BaSnO3 from first principles

Physical Review B ◽

10.1103/physrevb.97.104310 ◽

2018 ◽

Vol 97 (10) ◽

Cited By ~ 13

Author(s):

Bartomeu Monserrat ◽

Cyrus E. Dreyer ◽

Karin M. Rabe

Keyword(s):

Optical Absorption ◽

First Principles

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First principles study on copper and iridium co-doped SrTiO3 for shifting the optical absorption into visible region

SN Applied Sciences ◽

10.1007/s42452-020-03851-3 ◽

2020 ◽

Vol 2 (12) ◽

Author(s):

Meenakshi Sravani Bandaru ◽

Sudhanshu Choudhary

Keyword(s):

Optical Absorption ◽

First Principles ◽

Visible Region ◽

First Principles Study ◽

Co Doped

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Enhancing optical absorption in visible light of ZnO co-doped with europium and promethium by first-principles study through modified Becke and Johnson potential scheme

Journal of Rare Earths ◽

10.1016/j.jre.2018.08.011 ◽

2019 ◽

Vol 37 (4) ◽

pp. 416-421 ◽

Cited By ~ 1

Author(s):

A.G. El Hachimi ◽

M.L. Ould NE ◽

A. El Yousfi ◽

A. Benyoussef ◽

A. El Kenz

Keyword(s):

Optical Absorption ◽

Visible Light ◽

First Principles ◽

First Principles Study ◽

Co Doped

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Anomalous Water Optical Absorption: Large-Scale First-Principles Simulations

High Performance Computing in Science and Engineering ’06 ◽

10.1007/978-3-540-36183-1_4 ◽

2007 ◽

pp. 49-58

Author(s):

W. G. Schmidt ◽

S. Blankenburg ◽

S. Wippermann ◽

A. Hermann ◽

P. H. Hahn ◽

...

Keyword(s):

Optical Absorption ◽

First Principles ◽

Large Scale ◽

Anomalous Water

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The band structure and optical absorption of hematite (α-Fe2O3): a first-principles GW-BSE study

Physical Chemistry Chemical Physics ◽

10.1039/c8cp07132b ◽

2019 ◽

Vol 21 (6) ◽

pp. 2957-2967 ◽

Cited By ~ 20

Author(s):

Simone Piccinin

Keyword(s):

Charge Transfer ◽

Optical Absorption ◽

Band Structure ◽

First Principles ◽

Metal Charge ◽

Metal Charge Transfer

Using Bethe–Salpeter calculations we show that the onset of optical absorption in hematite is due to ligand-to-metal charge transfer excitations.

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Correction to “Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2H2n (n = 1–3)”

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b09606 ◽

2019 ◽

Vol 123 (44) ◽

pp. 9635-9635

Author(s):

Pritam Bhattacharyya ◽

Deepak Kumar Rai ◽

Alok Shukla

Keyword(s):

Optical Absorption ◽

Absorption Spectra ◽

Configuration Interaction ◽

First Principles ◽

Optical Absorption Spectra ◽

Silicon Hydrides ◽

Linear Optical ◽

Configuration Interaction Calculations

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First-Principles Prediction of Optical Absorption Enhancement for Si Native Defect Clusters under Biaxial Strain

Electrochemical and Solid-State Letters ◽

10.1149/1.3511714 ◽

2011 ◽

Vol 14 (1) ◽

pp. P1

Author(s):

Robert J. Bondi ◽

Sangheon Lee ◽

Gyeong S. Hwang

Keyword(s):

Optical Absorption ◽

First Principles ◽

Absorption Enhancement ◽

Native Defect ◽

Biaxial Strain ◽

Defect Clusters

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Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles

Journal of Chemical Theory and Computation ◽

10.1021/ct500485b ◽

2014 ◽

Vol 10 (9) ◽

pp. 4098-4103 ◽

Cited By ~ 3

Author(s):

Masayuki Ochi ◽

Shinji Tsuneyuki

Keyword(s):

Wave Function ◽

Optical Absorption ◽

Absorption Spectra ◽

Configuration Interaction ◽

First Principles ◽

Function Theory ◽

Optical Absorption Spectra

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Static polarizabilities and optical absorption spectra of boron clusters (n = 2–20, 38 and 40) using first principles

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.12.013 ◽

2018 ◽

Vol 1125 ◽

pp. 54-62 ◽

Cited By ~ 6

Author(s):

Balasaheb J. Nagare ◽

Sunil Chavan ◽

Vaishali Bambole

Keyword(s):

Optical Absorption ◽

Absorption Spectra ◽

First Principles ◽

Optical Absorption Spectra ◽

Boron Clusters

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Optical Absorption Spectra and Polarizabilities of Silicon Carbide Nanotubes: A First Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp074484y ◽

2007 ◽

Vol 111 (51) ◽

pp. 18864-18870 ◽

Cited By ~ 10

Author(s):

Lu Wang ◽

Jing Lu ◽

Guangfu Luo ◽

Wei Song ◽

Lin Lai ◽

...

Keyword(s):

Silicon Carbide ◽

Optical Absorption ◽

Absorption Spectra ◽

First Principles ◽

Optical Absorption Spectra ◽

First Principles Study ◽

Silicon Carbide Nanotubes

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First-Principles Calculations of the Urbach Tail in the Optical Absorption Spectra of Silica Glass

Physical Review Letters ◽

10.1103/physrevlett.106.027401 ◽

2011 ◽

Vol 106 (2) ◽

Cited By ~ 40

Author(s):

B. Sadigh ◽

P. Erhart ◽

D. Åberg ◽

A. Trave ◽

E. Schwegler ◽

...

Keyword(s):

Optical Absorption ◽

Absorption Spectra ◽

First Principles ◽

Silica Glass ◽

Optical Absorption Spectra ◽

First Principles Calculations ◽

Urbach Tail

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Phonon-assisted optical absorption in BaSnO3 from first principles

First principles study on copper and iridium co-doped SrTiO3 for shifting the optical absorption into visible region

Enhancing optical absorption in visible light of ZnO co-doped with europium and promethium by first-principles study through modified Becke and Johnson potential scheme

Anomalous Water Optical Absorption: Large-Scale First-Principles Simulations

The band structure and optical absorption of hematite (α-Fe2O3): a first-principles GW-BSE study

Correction to “Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2H2n (n = 1–3)”

First-Principles Prediction of Optical Absorption Enhancement for Si Native Defect Clusters under Biaxial Strain

Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles

Static polarizabilities and optical absorption spectra of boron clusters (n = 2–20, 38 and 40) using first principles

Optical Absorption Spectra and Polarizabilities of Silicon Carbide Nanotubes: A First Principles Study

First-Principles Calculations of the Urbach Tail in the Optical Absorption Spectra of Silica Glass

Static polarizabilities and optical absorption spectra of boron clusters (n = 2–20, 38 and 40) using first principles