Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

Barraza-Lopez, Salvador; Kaloni, Thaneshwor P.; Poudel, Shiva P.; Kumar, Pradeep

doi:10.1103/physrevb.97.024110

Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

Journal Article · Mon Jan 01 04:00:00 EST 2018 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.97.024110· OSTI ID:1540760

Barraza-Lopez, Salvador ^[1]; Kaloni, Thaneshwor P.; Poudel, Shiva P.; Kumar, Pradeep

DOE/OSTI

Not provided.

Research Organization:: Univ. of Arkansas, Fayetteville, AR (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0016139

OSTI ID:: 1540760

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 2 Vol. 97; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (60)

van der Waals forces in density functional theory: a review of the vdW-DF method Berland, Kristian; Cooper, Valentino R.; Lee, Kyuho Reports on Progress in Physics, Vol. 78, Issue 6 https://doi.org/10.1088/0034-4885/78/6/066501	journal	May 2015
Intrinsic Ferroelasticity and/or Multiferroicity in Two-Dimensional Phosphorene and Phosphorene Analogues Wu, Menghao; Zeng, Xiao Cheng Nano Letters, Vol. 16, Issue 5 https://doi.org/10.1021/acs.nanolett.6b00726	journal	April 2016
Spontaneous Ripple Formation in MoS ₂ Monolayers: Electronic Structure and Transport Effects Miró, Pere; Ghorbani-Asl, Mahdi; Heine, Thomas Advanced Materials, Vol. 25, Issue 38 https://doi.org/10.1002/adma.201301492	journal	July 2013
Two-Dimensional Disorder in Black Phosphorus and Monochalcogenide Monolayers Mehboudi, Mehrshad; Dorio, Alex M.; Zhu, Wenjuan Nano Letters, Vol. 16, Issue 3 https://doi.org/10.1021/acs.nanolett.5b04613	journal	February 2016
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional Berland, Kristian; Hyldgaard, Per Physical Review B, Vol. 89, Issue 3 https://doi.org/10.1103/PhysRevB.89.035412	journal	January 2014
The electronic properties of graphene Castro Neto, A. H.; Guinea, F.; Peres, N. M. R. Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162 https://doi.org/10.1103/RevModPhys.81.109	journal	January 2009
Chemical accuracy for the van der Waals density functional Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Journal of Physics: Condensed Matter, Vol. 22, Issue 2 https://doi.org/10.1088/0953-8984/22/2/022201	journal	December 2009
Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium Cahangirov, S.; Topsakal, M.; Aktürk, E. Physical Review Letters, Vol. 102, Issue 23 https://doi.org/10.1103/PhysRevLett.102.236804	journal	June 2009
Pseudopotentials for high-throughput DFT calculations Garrity, Kevin F.; Bennett, Joseph W.; Rabe, Karin M. Computational Materials Science, Vol. 81 https://doi.org/10.1016/j.commatsci.2013.08.053	journal	January 2014
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus Shulenburger, L.; Baczewski, A. D.; Zhu, Z. Nano Letters, Vol. 15, Issue 12 https://doi.org/10.1021/acs.nanolett.5b03615	journal	November 2015
A theoretical review on electronic, magnetic and optical properties of silicene Chowdhury, Suman; Jana, Debnarayan Reports on Progress in Physics, Vol. 79, Issue 12 https://doi.org/10.1088/0034-4885/79/12/126501	journal	October 2016
A density functional for sparse matter Langreth, D. C.; Lundqvist, B. I.; Chakarova-Käck, S. D. Journal of Physics: Condensed Matter, Vol. 21, Issue 8 https://doi.org/10.1088/0953-8984/21/8/084203	journal	January 2009
Phosphorene analogues: Isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure Gomes, Lídia C.; Carvalho, A. Physical Review B, Vol. 92, Issue 8 https://doi.org/10.1103/PhysRevB.92.085406	journal	August 2015
Graphene's morphology and electronic properties from discrete differential geometry Pacheco Sanjuan, Alejandro A.; Wang, Zhengfei; Imani, Hamed Pour Physical Review B, Vol. 89, Issue 12 https://doi.org/10.1103/PhysRevB.89.121403	journal	March 2014
A review on silicene — New candidate for electronics Kara, Abdelkader; Enriquez, Hanna; Seitsonen, Ari P. Surface Science Reports, Vol. 67, Issue 1 https://doi.org/10.1016/j.surfrep.2011.10.001	journal	January 2012
Photostrictive Two-Dimensional Materials in the Monochalcogenide Family Haleoot, Raad; Paillard, Charles; Kaloni, Thaneshwor P. Physical Review Letters, Vol. 118, Issue 22 https://doi.org/10.1103/PhysRevLett.118.227401	journal	May 2017
Mechanical instability at finite temperature Mao, Xiaoming; Souslov, Anton; Mendoza, Carlos I. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms6968	journal	January 2015
Systematic pseudopotentials from reference eigenvalue sets for DFT calculations Rivero, Pablo; García-Suárez, Víctor Manuel; Pereñiguez, David Computational Materials Science, Vol. 98 https://doi.org/10.1016/j.commatsci.2014.11.026	journal	February 2015
Picosecond Electric-Field-Induced Threshold Switching in Phase-Change Materials Zalden, Peter; Shu, Michael J.; Chen, Frank Physical Review Letters, Vol. 117, Issue 6 https://doi.org/10.1103/PhysRevLett.117.067601	journal	August 2016
Lone pair interactions with coinage metal atoms: Weak van der Waals complexes of the coinage metal atoms with water and ammonia Antušek, Andrej; Urban, Miroslav; Sadlej, Andrzej J. The Journal of Chemical Physics, Vol. 119, Issue 14 https://doi.org/10.1063/1.1605936	journal	October 2003
Ferroelasticity and domain physics in two-dimensional transition metal dichalcogenide monolayers Li, Wenbin; Li, Ju Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10843	journal	February 2016
Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks Thonhauser, T.; Zuluaga, S.; Arter, C. A. Physical Review Letters, Vol. 115, Issue 13 https://doi.org/10.1103/PhysRevLett.115.136402	journal	September 2015
Computational prediction of two-dimensional group-IV mono-chalcogenides Singh, Arunima K.; Hennig, Richard G. Applied Physics Letters, Vol. 105, Issue 4 https://doi.org/10.1063/1.4891230	journal	July 2014
The SIESTA method for ab initio order- N materials simulation Soler, José M.; Artacho, Emilio; Gale, Julian D. Journal of Physics: Condensed Matter, Vol. 14, Issue 11 https://doi.org/10.1088/0953-8984/14/11/302	journal	March 2002
Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals Gharaee, Leili; Erhart, Paul; Hyldgaard, Per Physical Review B, Vol. 95, Issue 8 https://doi.org/10.1103/PhysRevB.95.085147	journal	February 2017
Discovery of robust in-plane ferroelectricity in atomic-thick SnTe Chang, Kai; Liu, Junwei; Lin, Haicheng Science, Vol. 353, Issue 6296, p. 274-278 https://doi.org/10.1126/science.aad8609	journal	July 2016
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Large Bulk Photovoltaic Effect and Spontaneous Polarization of Single-Layer Monochalcogenides Rangel, Tonatiuh; Fregoso, Benjamin M.; Mendoza, Bernardo S. Physical Review Letters, Vol. 119, Issue 6 https://doi.org/10.1103/PhysRevLett.119.067402	journal	August 2017
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Stability and properties of high-buckled two-dimensional tin and lead Rivero, Pablo; Yan, Jia-An; García-Suárez, Víctor M. Physical Review B, Vol. 90, Issue 24 https://doi.org/10.1103/PhysRevB.90.241408	journal	December 2014
In Situ Thermal Decomposition of Exfoliated Two-Dimensional Black Phosphorus Liu, Xiaolong; Wood, Joshua D.; Chen, Kan-Sheng The Journal of Physical Chemistry Letters, Vol. 6, Issue 5 https://doi.org/10.1021/acs.jpclett.5b00043	journal	February 2015
Ferroelectricity and Phase Transitions in Monolayer Group-IV Monochalcogenides Fei, Ruixiang; Kang, Wei; Yang, Li Physical Review Letters, Vol. 117, Issue 9 https://doi.org/10.1103/PhysRevLett.117.097601	journal	August 2016
Thermoelectric and phonon transport properties of two-dimensional IV–VI compounds Shafique, Aamir; Shin, Young-Han Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-00598-7	journal	March 2017
Thermoelectric properties of orthorhombic group IV–VI monolayers from the first-principles calculations Guo, San-Dong; Wang, Yue-Hua Journal of Applied Physics, Vol. 121, Issue 3 https://doi.org/10.1063/1.4974200	journal	January 2017
Electronic Structure of Monolayer Hexagonal Boron Nitride Physisorbed on Metal Surfaces Nagashima, A.; Tejima, N.; Gamou, Y. Physical Review Letters, Vol. 75, Issue 21 https://doi.org/10.1103/PhysRevLett.75.3918	journal	November 1995
The structure of suspended graphene sheets Meyer, Jannik C.; Geim, A. K.; Katsnelson, M. I. Nature, Vol. 446, Issue 7131, p. 60-63 https://doi.org/10.1038/nature05545	journal	March 2007
Orbitally driven giant phonon anharmonicity in SnSe Li, C. W.; Hong, J.; May, A. F. Nature Physics, Vol. 11, Issue 12 https://doi.org/10.1038/nphys3492	journal	October 2015
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond Thonhauser, T.; Cooper, Valentino R.; Li, Shen Physical Review B, Vol. 76, Issue 12 https://doi.org/10.1103/PhysRevB.76.125112	journal	September 2007
Intrinsic ripples in graphene Fasolino, A.; Los, J. H.; Katsnelson, M. I. Nature Materials, Vol. 6, Issue 11 https://doi.org/10.1038/nmat2011	journal	September 2007
Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS Fei, Ruixiang; Li, Wenbin; Li, Ju Applied Physics Letters, Vol. 107, Issue 17 https://doi.org/10.1063/1.4934750	journal	October 2015
Order-disorder in hexagonal lattices Houtappel, R. M. F. Physica, Vol. 16, Issue 5 https://doi.org/10.1016/0031-8914(50)90130-3	journal	May 1950
Ripples and Layers in Ultrathin MoS ₂ Membranes Brivio, Jacopo; Alexander, Duncan T. L.; Kis, Andras Nano Letters, Vol. 11, Issue 12 https://doi.org/10.1021/nl2022288	journal	December 2011
Strain and the optoelectronic properties of nonplanar phosphorene monolayers Mehboudi, Mehrshad; Utt, Kainen; Terrones, Humberto Proceedings of the National Academy of Sciences, Vol. 112, Issue 19 https://doi.org/10.1073/pnas.1500633112	journal	April 2015
Two-dimensional multiferroics in monolayer group IV monochalcogenides Wang, Hua; Qian, Xiaofeng 2D Materials, Vol. 4, Issue 1 https://doi.org/10.1088/2053-1583/4/1/015042	journal	January 2017
Quantitative Chemistry and the Discrete Geometry of Conformal Atom-Thin Crystals Pacheco Sanjuan, Alejandro A.; Mehboudi, Mehrshad; Harriss, Edmund O. ACS Nano, Vol. 8, Issue 2 https://doi.org/10.1021/nn406532z	journal	January 2014
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Electron-Beam Induced Transformations of Layered Tin Dichalcogenides Sutter, E.; Huang, Y.; Komsa, H. -P. Nano Letters, Vol. 16, Issue 7 https://doi.org/10.1021/acs.nanolett.6b01541	journal	June 2016
Statistical Mechanics of Membranes and Surfaces Nelson, D.; Piran, T.; Weinberg, S. https://doi.org/10.1142/5473	book	June 2004
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Electronic and optical properties of strained graphene and other strained 2D materials: a review Naumis, Gerardo G.; Barraza-Lopez, Salvador; Oliva-Leyva, Maurice Reports on Progress in Physics, Vol. 80, Issue 9 https://doi.org/10.1088/1361-6633/aa74ef	journal	August 2017
Structural anisotropy results in strain-tunable electronic and optical properties in monolayer GeX and SnX (X = S, Se, Te) Huang, Le; Wu, Fugen; Li, Jingbo The Journal of Chemical Physics, Vol. 144, Issue 11 https://doi.org/10.1063/1.4943969	journal	March 2016
Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models Mermin, N. D.; Wagner, H. Physical Review Letters, Vol. 17, Issue 22 https://doi.org/10.1103/PhysRevLett.17.1133	journal	November 1966
Some generalized order-disorder transformations Potts, R. B. Mathematical Proceedings of the Cambridge Philosophical Society, Vol. 48, Issue 1 https://doi.org/10.1017/S0305004100027419	journal	January 1952
Van der Waals density functionals applied to solids Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Physical Review B, Vol. 83, Issue 19 https://doi.org/10.1103/PhysRevB.83.195131	journal	May 2011
Electronic structure of tin monochalcogenides from SnO to SnTe Lefebvre, I.; Szymanski, M. A.; Olivier-Fourcade, J. Physical Review B, Vol. 58, Issue 4 https://doi.org/10.1103/PhysRevB.58.1896	journal	July 1998
The Universe in a Helium Droplet Volovik, Grigory E. Oxford University Press https://doi.org/10.1093/acprof:oso/9780199564842.001.0001	book	February 2009
Renormalization, vortices, and symmetry-breaking perturbations in the two-dimensional planar model José, Jorge V.; Kadanoff, Leo P.; Kirkpatrick, Scott Physical Review B, Vol. 16, Issue 3 https://doi.org/10.1103/PhysRevB.16.1217	journal	August 1977
Structural Phase Transition and Material Properties of Few-Layer Monochalcogenides Mehboudi, Mehrshad; Fregoso, Benjamin M.; Yang, Yurong Physical Review Letters, Vol. 117, Issue 24 https://doi.org/10.1103/PhysRevLett.117.246802	journal	December 2016
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes Román-Pérez, Guillermo; Soler, José M. Physical Review Letters, Vol. 103, Issue 9 https://doi.org/10.1103/PhysRevLett.103.096102	journal	August 2009

Similar Records

Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

Journal Article · Sun Jan 21 19:00:00 EST 2018 · Physical Review B · OSTI ID:1417687

Injection current in ferroelectric group-IV monochalcogenide monolayers

Journal Article · Sun Nov 10 19:00:00 EST 2019 · Physical Review. B · OSTI ID:1763378

Anisotropic thermal expansion of group-IV monochalcogenide monolayers

Journal Article · Tue Aug 28 00:00:00 EDT 2018 · Applied Physics Express · OSTI ID:1544200

Related Subjects

Materials Science
Physics

Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

Citation Formats

References (60)

Similar Records

Related Subjects