Two-dimensional exciton properties in monolayer semiconducting phosphorus allotropes

Cesar E. P. Villegas; A. S. Rodin; Alexandra Carvalho; A. R. Rocha

doi:10.1039/c6cp05566d

Two-dimensional exciton properties in monolayer semiconducting phosphorus allotropes

Physical Chemistry Chemical Physics ◽

10.1039/c6cp05566d ◽

2016 ◽

Vol 18 (40) ◽

pp. 27829-27836 ◽

Cited By ~ 20

Author(s):

Cesar E. P. Villegas ◽

A. S. Rodin ◽

Alexandra Carvalho ◽

A. R. Rocha

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Black Phosphorus ◽

Two Dimensional ◽

Many Body ◽

Many Body Perturbation Theory ◽

Excitonic Properties ◽

Effective Models

Ab initiomany-body perturbation theory calculations for the excitonic properties of two-dimensional blue and black phosphorus allotropes are performed and validated with hydrogenic effective models.

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Ab Initio Many-Body Perturbation Theory Calculations of the Electronic and Optical Properties of Cyclometalated Ir(III) Complexes

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00763 ◽

2019 ◽

Vol 16 (2) ◽

pp. 1188-1199 ◽

Cited By ~ 3

Author(s):

Marco Cazzaniga ◽

Fausto Cargnoni ◽

Marta Penconi ◽

Alberto Bossi ◽

Davide Ceresoli

Keyword(s):

Optical Properties ◽

Perturbation Theory ◽

Ab Initio ◽

Many Body ◽

Electronic And Optical Properties ◽

Many Body Perturbation Theory

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Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction

Scientific Reports ◽

10.1038/srep14358 ◽

2015 ◽

Vol 5 (1) ◽

Cited By ~ 60

Author(s):

Soohaeng Yoo Willow ◽

Michael A. Salim ◽

Kwang S. Kim ◽

So Hirata

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Ab Initio ◽

Liquid Water ◽

Second Order ◽

Ab Initio Molecular Dynamics ◽

Many Body ◽

Property Prediction ◽

Many Body Perturbation Theory

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Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4880695 ◽

2014 ◽

Vol 140 (21) ◽

pp. 214315 ◽

Cited By ~ 5

Author(s):

Huabing Yin ◽

Yuchen Ma ◽

Xiaotao Hao ◽

Jinglin Mu ◽

Chengbu Liu ◽

...

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Optical Absorption ◽

Ab Initio ◽

Many Body ◽

Diamond Nanoparticles ◽

Many Body Perturbation Theory

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AB initio treatments of quasidegenerate many-body perturbation theory within the effective valence shell Hamiltonian formalism

The Journal of Physical Chemistry ◽

10.1021/j100209a004 ◽

1982 ◽

Vol 86 (12) ◽

pp. 2130-2133 ◽

Cited By ~ 17

Author(s):

Karl F. Freed ◽

Maurice G. Sheppard

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Hamiltonian Formalism ◽

Valence Shell ◽

Many Body ◽

Many Body Perturbation Theory ◽

Effective Valence

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Quasiparticle spectra, absorption spectra, and excitonic properties of NaI andSrI2from many-body perturbation theory

Physical Review B ◽

10.1103/physrevb.89.075132 ◽

2014 ◽

Vol 89 (7) ◽

Cited By ~ 24

Author(s):

Paul Erhart ◽

André Schleife ◽

Babak Sadigh ◽

Daniel Åberg

Keyword(s):

Perturbation Theory ◽

Absorption Spectra ◽

Many Body ◽

Many Body Perturbation Theory ◽

Excitonic Properties

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Studies on covalent functionalization of single layer black phosphorus from GW calculations based on the many body perturbation theory

Electronic Structure ◽

10.1088/2516-1075/ab8aba ◽

2020 ◽

Vol 2 (2) ◽

pp. 025005 ◽

Cited By ~ 1

Author(s):

Yazhuo Zheng ◽

Yuchen Ma ◽

Ran Jia ◽

Huichao Li ◽

Zhijun Yi

Keyword(s):

Perturbation Theory ◽

Single Layer ◽

Black Phosphorus ◽

Many Body ◽

Covalent Functionalization ◽

Many Body Perturbation Theory ◽

The Many

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Optoelectronic Properties of Halide Perovskites with ab Initio Many-body Perturbation Theory

10.29363/nanoge.nfm.2019.074 ◽

2019 ◽

Author(s):

Linn Leppert

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Optoelectronic Properties ◽

Many Body ◽

Many Body Perturbation Theory ◽

Halide Perovskites

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Ab initio potentials for (H2S)2, including studies of effects from third‐order many‐body perturbation theory and three‐body nonadditivity

The Journal of Chemical Physics ◽

10.1063/1.457868 ◽

1990 ◽

Vol 92 (6) ◽

pp. 3605-3609 ◽

Cited By ~ 9

Author(s):

David E. Woon ◽

Donald R. Beck

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory ◽

Ab Initio Potentials ◽

Three Body

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Quasi-particle band structure and exciton spectrum of a two-dimensional system of hydrogen atoms using Møller-Plesset many-body perturbation theory up to second order

Chemical Physics ◽

10.1016/0301-0104(88)85037-7 ◽

1988 ◽

Vol 126 (2-3) ◽

pp. 255-261 ◽

Cited By ~ 10

Author(s):

M. Vračko ◽

C.-M. Liegener ◽

J. Ladik

Keyword(s):

Perturbation Theory ◽

Dimensional System ◽

Two Dimensional ◽

Many Body ◽

Hydrogen Atoms ◽

Quasi Particle ◽

Exciton Spectrum ◽

Many Body Perturbation Theory ◽

Two Dimensional System ◽

Moller Plesset

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Erratum: Ab initio potentials for (H2S)2, including studies of effects from third‐order many‐body perturbation theory and three‐body nonadditivity [J. Chem. Phys. 92, 3605 (1990)]

The Journal of Chemical Physics ◽

10.1063/1.458610 ◽

1990 ◽

Vol 92 (10) ◽

pp. 6338-6338

Author(s):

David E. Woon ◽

Donald R. Beck

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Chem Phys ◽

Many Body ◽

Third Order ◽

Many Body Perturbation Theory ◽

Ab Initio Potentials ◽

Three Body

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