Prediction of a two-dimensional S 3 N 2 solid for optoelectronic applications

Xiao, Hang; Shi, Xiaoyang; Liao, Xiangbiao; Zhang, Yayun; Chen, Xi

doi:10.1103/PhysRevMaterials.2.024002

Title: Prediction of a two-dimensional $S_{3} N_{2}$ solid for optoelectronic applications

Authors:: Xiao, Hang; Shi, Xiaoyang; Liao, Xiangbiao; Zhang, Yayun; Chen, Xi

Publication Date:: Wed Feb 07 00:00:00 EST 2018

Sponsoring Org.:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

OSTI Identifier:: 1419815

Grant/Contract Number:: AR0000396

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 2; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Xiao, Hang, Shi, Xiaoyang, Liao, Xiangbiao, Zhang, Yayun, and Chen, Xi. Prediction of a two-dimensional S 3 N 2 solid for optoelectronic applications.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevMaterials.2.024002.

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                    Xiao, Hang, Shi, Xiaoyang, Liao, Xiangbiao, Zhang, Yayun, & Chen, Xi. Prediction of a two-dimensional S 3 N 2 solid for optoelectronic applications.  United States.  https://doi.org/10.1103/PhysRevMaterials.2.024002

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                    Xiao, Hang, Shi, Xiaoyang, Liao, Xiangbiao, Zhang, Yayun, and Chen, Xi. Wed .  
"Prediction of a two-dimensional S 3 N 2 solid for optoelectronic applications".  United States.  https://doi.org/10.1103/PhysRevMaterials.2.024002.

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@article{osti_1419815,

  title        = {Prediction of a two-dimensional S 3 N 2 solid for optoelectronic applications},

  author       = {Xiao, Hang and Shi, Xiaoyang and Liao, Xiangbiao and Zhang, Yayun and Chen, Xi},

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.2.024002},

  journal      = {Physical Review Materials},

  number       = 2,

  volume       = 2,

  place        = {United States},

  year         = {Wed Feb 07 00:00:00 EST 2018},

  month        = {Wed Feb 07 00:00:00 EST 2018}

}

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Title: Prediction of a two-dimensional S 3 N 2 solid for optoelectronic applications

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

CALYPSO: A method for crystal structure prediction journal, October 2012

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases journal, September 2007

First-principles study of two- and one-dimensional honeycomb structures of boron nitride journal, March 2009

Two-dimensional material nanophotonics journal, November 2014

Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene journal, September 2014

2D materials: to graphene and beyond journal, January 2011

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene journal, March 2013

New developments in evolutionary structure prediction algorithm USPEX journal, April 2013

Quantum Spin Hall Insulator State in HgTe Quantum Wells journal, November 2007

Spin and pseudospins in layered transition metal dichalcogenides journal, April 2014

Special points for Brillouin-zone integrations journal, June 1976

Electric Field Effect in Atomically Thin Carbon Films journal, October 2004

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

Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials journal, July 2013

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem journal, August 1965

Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator journal, September 2014

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides journal, November 2012

Synthesis and Optical Properties of Large-Area Single-Crystalline 2D Semiconductor WS 2 Monolayer from Chemical Vapor Deposition journal, December 2013

Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides journal, January 2014

Effect of defects on the intrinsic strength and stiffness of graphene journal, January 2014

Quasiparticle energies, excitonic effects and optical absorption spectra of small-diameter single-walled carbon nanotubes journal, May 2004

Two-dimensional atomic crystals journal, July 2005

Silicene field-effect transistors operating at room temperature journal, February 2015

Electronic excitations: density-functional versus many-body Green’s-function approaches journal, June 2002

Quantum spin Hall effect in two-dimensional transition metal dichalcogenides journal, November 2014

Atomically Thin MoS2 A New Direct-Gap Semiconductor journal, September 2010

Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach journal, April 2005

New Phases of Germanene journal, July 2014

Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons journal, April 2004

How Evolutionary Crystal Structure Prediction Works—and Why journal, March 2011

Density-Functional Theory of the Energy Gap journal, November 1983

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets journal, April 2013

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon journal, April 2012

Black phosphorus field-effect transistors journal, March 2014

Degradation of phosphorene in air: understanding at atomic level journal, April 2016

Crystal structure prediction using ab initio evolutionary techniques: Principles and applications journal, June 2006

The two-dimensional phase of boron nitride: Few-atomic-layer sheets and suspended membranes journal, March 2008

Single-layer MoS2 transistors journal, January 2011

Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities journal, November 1983

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

A Relativistic Equation for Bound-State Problems journal, December 1951

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Title: Prediction of a two-dimensional $S_{3} N_{2}$ solid for optoelectronic applications

Generalized Gradient Approximation Made Simple
journal, October 1996

CALYPSO: A method for crystal structure prediction
journal, October 2012

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
journal, September 2007

First-principles study of two- and one-dimensional honeycomb structures of boron nitride
journal, March 2009

Two-dimensional material nanophotonics
journal, November 2014

Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene
journal, September 2014

2D materials: to graphene and beyond
journal, January 2011

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
journal, March 2013

New developments in evolutionary structure prediction algorithm USPEX
journal, April 2013

Quantum Spin Hall Insulator State in HgTe Quantum Wells
journal, November 2007

Spin and pseudospins in layered transition metal dichalcogenides
journal, April 2014

Special points for Brillouin-zone integrations
journal, June 1976

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004

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

Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials
journal, July 2013

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
journal, August 1965

Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator
journal, September 2014

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012

Synthesis and Optical Properties of Large-Area Single-Crystalline 2D Semiconductor WS ₂ Monolayer from Chemical Vapor Deposition
journal, December 2013

Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides
journal, January 2014

Effect of defects on the intrinsic strength and stiffness of graphene
journal, January 2014

Quasiparticle energies, excitonic effects and optical absorption spectra of small-diameter single-walled carbon nanotubes
journal, May 2004

Two-dimensional atomic crystals
journal, July 2005

Silicene field-effect transistors operating at room temperature
journal, February 2015

Electronic excitations: density-functional versus many-body Green’s-function approaches
journal, June 2002

Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
journal, November 2014

Atomically Thin ${MoS}_{2}$ A New Direct-Gap Semiconductor
journal, September 2010

Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
journal, April 2005

New Phases of Germanene
journal, July 2014

Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons
journal, April 2004

How Evolutionary Crystal Structure Prediction Works—and Why
journal, March 2011

Density-Functional Theory of the Energy Gap
journal, November 1983

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
journal, April 2013

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon
journal, April 2012

Black phosphorus field-effect transistors
journal, March 2014

Degradation of phosphorene in air: understanding at atomic level
journal, April 2016

Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
journal, June 2006

The two-dimensional phase of boron nitride: Few-atomic-layer sheets and suspended membranes
journal, March 2008

Single-layer MoS₂ transistors
journal, January 2011

Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
journal, November 1983

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

A Relativistic Equation for Bound-State Problems
journal, December 1951

Two-dimensional gas of massless Dirac fermions in graphene
journal, November 2005

Enhanced electron-hole interaction and optical absorption in a silicon nanowire
journal, May 2007