New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials

Dong, Baojuan; Wang, Zhenhai; Hung, Nguyen T.; Oganov, Artem R.; Yang, Teng; Saito, Riichiro; Zhang, Zhidong

doi:10.1103/PhysRevMaterials.3.013405

Title: New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials

Authors:: Dong, Baojuan; Wang, Zhenhai; Hung, Nguyen T.; Oganov, Artem R.; Yang, Teng; Saito, Riichiro; Zhang, Zhidong

Publication Date:: 2019-01-11

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1490562

Grant/Contract Number:: AC02-98CH10086

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 3 Journal Issue: 1; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Dong, Baojuan, Wang, Zhenhai, Hung, Nguyen T., Oganov, Artem R., Yang, Teng, Saito, Riichiro, and Zhang, Zhidong. New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials.  United States: N. p., 2019. 
Web.  doi:10.1103/PhysRevMaterials.3.013405.

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                    Dong, Baojuan, Wang, Zhenhai, Hung, Nguyen T., Oganov, Artem R., Yang, Teng, Saito, Riichiro, & Zhang, Zhidong. New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials.  United States.  https://doi.org/10.1103/PhysRevMaterials.3.013405

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                    Dong, Baojuan, Wang, Zhenhai, Hung, Nguyen T., Oganov, Artem R., Yang, Teng, Saito, Riichiro, and Zhang, Zhidong. Fri .  
"New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials".  United States.  https://doi.org/10.1103/PhysRevMaterials.3.013405.

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@article{osti_1490562,

  title        = {New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials},

  author       = {Dong, Baojuan and Wang, Zhenhai and Hung, Nguyen T. and Oganov, Artem R. and Yang, Teng and Saito, Riichiro and Zhang, Zhidong},

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.3.013405},

  journal      = {Physical Review Materials},

  number       = 1,

  volume       = 3,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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Title: New two-dimensional phase of tin chalcogenides: Candidates for high-performance thermoelectric materials

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Tinselenidene: a Two-dimensional Auxetic Material with Ultralow Lattice Thermal Conductivity and Ultrahigh Hole Mobility journal, February 2016

Phosphorene: Fabrication, Properties, and Applications journal, July 2015

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Ultrathin SnSe 2 Flakes Grown by Chemical Vapor Deposition for High-Performance Photodetectors journal, November 2015

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From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Deformation Potentials and Mobilities in Non-Polar Crystals journal, October 1950

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Novel two-dimensional ferroelectric PbTe under tension: A first-principles prediction journal, August 2017

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Graphene-like silicon nanoribbons on Ag(110): A possible formation of silicene journal, May 2010

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

Thermoelectric performance of monolayer InSe improved by convergence of multivalley bands journal, February 2019

BoltzTraP. A code for calculating band-structure dependent quantities journal, July 2006

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

Necessary and sufficient elastic stability conditions in various crystal systems journal, December 2014

Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials journal, January 2010

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals journal, April 2014

Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets journal, August 2017

Quantum Effects in the Thermoelectric Power Factor of Low-Dimensional Semiconductors journal, July 2016

Effect of quantum-well structures on the thermoelectric figure of merit journal, May 1993

Polarity-Reversed Robust Carrier Mobility in Monolayer MoS 2 Nanoribbons journal, April 2014

ShengBTE: A solver of the Boltzmann transport equation for phonons journal, June 2014

On the stability of crystal lattices. I journal, April 1940

Positive-definite conditions of elastic constants of two-dimensional quasicrystals with noncrystallographic symmetries journal, May 1999

Influence of the exchange screening parameter on the performance of screened hybrid functionals journal, December 2006

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

Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene journal, September 2014

The development of two dimensional group IV chalcogenides, blocks for van der Waals heterostructures journal, January 2016

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

First principles phonon calculations in materials science journal, November 2015

Thermoelectric properties of γ-graphyne from first-principles calculations journal, March 2017

Experimental realization of a topological crystalline insulator in SnTe journal, September 2012

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus journal, July 2014

Orbitally driven giant phonon anharmonicity in SnSe journal, October 2015

Multiferroic Two-Dimensional Materials journal, May 2016

Electronic Transport in Semimetallic Cerium Sulfide journal, February 1964

Single-Layer Single-Crystalline SnSe Nanosheets journal, January 2013

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility journal, March 2014

Thermoelectric and phonon transport properties of two-dimensional IV–VI compounds journal, March 2017

Strain-induced enhancement in the thermoelectric performance of a ZrS 2 monolayer journal, January 2016

Generalized Gradient Approximation Made Simple
journal, October 1996

Tinselenidene: a Two-dimensional Auxetic Material with Ultralow Lattice Thermal Conductivity and Ultrahigh Hole Mobility
journal, February 2016

Phosphorene: Fabrication, Properties, and Applications
journal, July 2015

Two-dimensional gallium nitride realized via graphene encapsulation
journal, August 2016

Ultra low lattice thermal conductivity and high carrier mobility of monolayer SnS ₂ and SnSe ₂ : a first principles study
journal, January 2017

A Revisit to High Thermoelectric Performance of Single-layer MoS2
journal, December 2015

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

Resonant bonding leads to low lattice thermal conductivity
journal, April 2014

Complex thermoelectric materials
journal, February 2008

Ultrathin SnSe ₂ Flakes Grown by Chemical Vapor Deposition for High-Performance Photodetectors
journal, November 2015

Thermoelectric figure of merit of a one-dimensional conductor
journal, June 1993

Internal lattice relaxation of single-layer graphene under in-plane deformation
journal, April 2008

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Deformation Potentials and Mobilities in Non-Polar Crystals
journal, October 1950

Discovery of robust in-plane ferroelectricity in atomic-thick SnTe
journal, July 2016

Novel two-dimensional ferroelectric PbTe under tension: A first-principles prediction
journal, August 2017

Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States
journal, July 2008

Graphene-like silicon nanoribbons on Ag(110): A possible formation of silicene
journal, May 2010

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

Thermoelectric performance of monolayer InSe improved by convergence of multivalley bands
journal, February 2019

BoltzTraP. A code for calculating band-structure dependent quantities
journal, July 2006

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

Necessary and sufficient elastic stability conditions in various crystal systems
journal, December 2014

Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
journal, January 2010

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
journal, April 2014

Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets
journal, August 2017

Quantum Effects in the Thermoelectric Power Factor of Low-Dimensional Semiconductors
journal, July 2016

Effect of quantum-well structures on the thermoelectric figure of merit
journal, May 1993

Polarity-Reversed Robust Carrier Mobility in Monolayer MoS ₂ Nanoribbons
journal, April 2014

ShengBTE: A solver of the Boltzmann transport equation for phonons
journal, June 2014

On the stability of crystal lattices. I
journal, April 1940

Positive-definite conditions of elastic constants of two-dimensional quasicrystals with noncrystallographic symmetries
journal, May 1999

Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006

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

Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene
journal, September 2014

The development of two dimensional group IV chalcogenides, blocks for van der Waals heterostructures
journal, January 2016

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

First principles phonon calculations in materials science
journal, November 2015

Thermoelectric properties of γ-graphyne from first-principles calculations
journal, March 2017

Experimental realization of a topological crystalline insulator in SnTe
journal, September 2012

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
journal, July 2014

Orbitally driven giant phonon anharmonicity in SnSe
journal, October 2015

Multiferroic Two-Dimensional Materials
journal, May 2016

Electronic Transport in Semimetallic Cerium Sulfide
journal, February 1964

Single-Layer Single-Crystalline SnSe Nanosheets
journal, January 2013

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility
journal, March 2014

Thermoelectric and phonon transport properties of two-dimensional IV–VI compounds
journal, March 2017

Strain-induced enhancement in the thermoelectric performance of a ZrS ₂ monolayer
journal, January 2016