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Title: Charging assisted structural phase transitions in monolayer InSe

Abstract

Two new phases of InSe with novel electronic properties have been identified by first-principles calculations; charge doping and substrates are suggested as feasible methods to stabilize these structures.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2];  [1];  [3]
  1. School of Chemistry; Physics and Mechanical Engineering Faculty; Queensland University of Technology; Brisbane; Australia
  2. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie; Universität Leipzig; 04103 Leipzig; Germany
  3. Department of Physics and Astronomy and High Pressure Science and Engineering Center; University of Nevada; Las Vegas; USA
Publication Date:
Research Org.:
Univ. of Nevada, Reno, NV (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1535214
DOE Contract Number:  
NA0001982
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 19; Journal Issue: 33; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Kou, Liangzhi, Du, Aijun, Ma, Yandong, Liao, Ting, and Chen, Changfeng. Charging assisted structural phase transitions in monolayer InSe. United States: N. p., 2017. Web. doi:10.1039/c7cp04469k.
Kou, Liangzhi, Du, Aijun, Ma, Yandong, Liao, Ting, & Chen, Changfeng. Charging assisted structural phase transitions in monolayer InSe. United States. doi:10.1039/c7cp04469k.
Kou, Liangzhi, Du, Aijun, Ma, Yandong, Liao, Ting, and Chen, Changfeng. Sun . "Charging assisted structural phase transitions in monolayer InSe". United States. doi:10.1039/c7cp04469k.
@article{osti_1535214,
title = {Charging assisted structural phase transitions in monolayer InSe},
author = {Kou, Liangzhi and Du, Aijun and Ma, Yandong and Liao, Ting and Chen, Changfeng},
abstractNote = {Two new phases of InSe with novel electronic properties have been identified by first-principles calculations; charge doping and substrates are suggested as feasible methods to stabilize these structures.},
doi = {10.1039/c7cp04469k},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 33,
volume = 19,
place = {United States},
year = {2017},
month = {1}
}

Works referenced in this record:

Graphene: Status and Prospects
journal, June 2009


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

  • Butler, Sheneve Z.; Hollen, Shawna M.; Cao, Linyou
  • ACS Nano, Vol. 7, Issue 4, p. 2898-2926
  • DOI: 10.1021/nn400280c

Electronics based on two-dimensional materials
journal, October 2014

  • Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe
  • Nature Nanotechnology, Vol. 9, Issue 10
  • DOI: 10.1038/nnano.2014.207

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

  • Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
  • Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
  • DOI: 10.1038/nnano.2012.193

Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers
journal, July 2014

  • Duerloo, Karel-Alexander N.; Li, Yao; Reed, Evan J.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5214

Band Structures of Transition-Metal-Dichalcogenide Layer Compounds
journal, October 1973


Photoluminescence from Chemically Exfoliated MoS2
journal, December 2011

  • Eda, Goki; Yamaguchi, Hisato; Voiry, Damien
  • Nano Letters, Vol. 11, Issue 12, p. 5111-5116
  • DOI: 10.1021/nl201874w

Mobility engineering and a metal–insulator transition in monolayer MoS2
journal, June 2013

  • Radisavljevic, Branimir; Kis, Andras
  • Nature Materials, Vol. 12, Issue 9
  • DOI: 10.1038/nmat3687

Structures and Phase Transition of a MoS 2 Monolayer
journal, January 2014

  • Kan, M.; Wang, J. Y.; Li, X. W.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 3
  • DOI: 10.1021/jp4076355

Coherent Atomic and Electronic Heterostructures of Single-Layer MoS2
journal, July 2012

  • Eda, Goki; Fujita, Takeshi; Yamaguchi, Hisato
  • ACS Nano, Vol. 6, Issue 8, p. 7311-7317
  • DOI: 10.1021/nn302422x

Phase-engineered low-resistance contacts for ultrathin MoS2 transistors
journal, August 2014

  • Kappera, Rajesh; Voiry, Damien; Yalcin, Sibel Ebru
  • Nature Materials, Vol. 13, Issue 12, p. 1128-1134
  • DOI: 10.1038/nmat4080

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


Evolution of the Electronic Band Structure and Efficient Photo-Detection in Atomic Layers of InSe
journal, January 2014

  • Lei, Sidong; Ge, Liehui; Najmaei, Sina
  • ACS Nano, Vol. 8, Issue 2
  • DOI: 10.1021/nn405036u

Indium Selenides: Structural Characteristics, Synthesis and Their Thermoelectric Performances
journal, April 2014


High electron mobility, quantum Hall effect and anomalous optical response in atomically thin InSe
journal, November 2016

  • Bandurin, Denis A.; Tyurnina, Anastasia V.; Yu, Geliang L.
  • Nature Nanotechnology, Vol. 12, Issue 3
  • DOI: 10.1038/nnano.2016.242

Tuning the Bandgap of Exfoliated InSe Nanosheets by Quantum Confinement
journal, August 2013

  • Mudd, Garry W.; Svatek, Simon A.; Ren, Tianhang
  • Advanced Materials, Vol. 25, Issue 40
  • DOI: 10.1002/adma.201302616

Indium selenide: an insight into electronic band structure and surface excitations
journal, June 2017


Engineering a topological phase transition in β -InSe via strain
journal, July 2013


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


Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
journal, October 2008


A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

The direct-to-indirect band gap crossover in two-dimensional van der Waals Indium Selenide crystals
journal, December 2016

  • Mudd, G. W.; Molas, M. R.; Chen, X.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep39619

Ab-initio calculations and structural studies of (SiTe) 2 (Sb 2 Te 3 ) n ( n : 1, 2, 4 and 6) phase-change superlattice films
journal, February 2014

  • Saito, Y.; Tominaga, J.; Fons, P.
  • physica status solidi (RRL) - Rapid Research Letters, Vol. 8, Issue 4
  • DOI: 10.1002/pssr.201409013

Proposed two-dimensional topological insulator in SiTe
journal, November 2016


Dynamic Phase Engineering of Bendable Transition Metal Dichalcogenide Monolayers
journal, March 2017


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


Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111)
journal, June 2012

  • Feng, Baojie; Ding, Zijing; Meng, Sheng
  • Nano Letters, Vol. 12, Issue 7, p. 3507-3511
  • DOI: 10.1021/nl301047g

Buckled Germanene Formation on Pt(111)
journal, May 2014


Charge Mediated Semiconducting-to-Metallic Phase Transition in Molybdenum Disulfide Monolayer and Hydrogen Evolution Reaction in New 1T′ Phase
journal, June 2015

  • Gao, Guoping; Jiao, Yan; Ma, Fengxian
  • The Journal of Physical Chemistry C, Vol. 119, Issue 23
  • DOI: 10.1021/acs.jpcc.5b04658

Atomic-Scale Clarification of Structural Transition of MoS 2 upon Sodium Intercalation
journal, November 2014

  • Wang, Xuefeng; Shen, Xi; Wang, Zhaoxiang
  • ACS Nano, Vol. 8, Issue 11
  • DOI: 10.1021/nn505501v

Critical electronic structures controlling phase transitions induced by lithium ion intercalation in molybdenum disulphide
journal, May 2013


Halide perovskite materials for solar cells: a theoretical review
journal, January 2015

  • Yin, Wan-Jian; Yang, Ji-Hui; Kang, Joongoo
  • Journal of Materials Chemistry A, Vol. 3, Issue 17
  • DOI: 10.1039/C4TA05033A

Spin-orbit gap of graphene: First-principles calculations
journal, January 2007


High-temperature quantum spin Hall insulator in compensated n-p codoped graphene
journal, January 2016