Ferroelasticity and domain physics in two-dimensional transition metal dichalcogenide monolayers

Monolayers of transition metal dichalcogenides can exist in several structural polymorphs, including 2H, 1T and 1T′. The low-symmetry 1T′ phase has three orientation variants, resulting from the three equivalent directions of Peierls distortion in the parental 1T phase. Using first-principles calcul...

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Published in:Nature communications 2016-02, Vol.7 (1), p.10843-10843, Article 10843
Main Authors: Li, Wenbin, Li, Ju
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Language:English
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119/118
639/301/119/1000/1018
639/925
Chalcogenides
condensed matter
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Ferroelasticity
First principles
Genetic transformation
Humanities and Social Sciences
Laboratories
Martensitic transformations
materials science
Mathematical analysis
Mechanical stimuli
Metals
Monolayers
multidisciplinary
nanotechnology
Organic chemistry
Phase transitions
physical sciences
Physics
Science
Science (multidisciplinary)
Shape memory
Strain
Switching
Symmetry
Transition metal compounds
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description Monolayers of transition metal dichalcogenides can exist in several structural polymorphs, including 2H, 1T and 1T′. The low-symmetry 1T′ phase has three orientation variants, resulting from the three equivalent directions of Peierls distortion in the parental 1T phase. Using first-principles calculations, we predict that mechanical strain can switch the relative thermodynamic stability between the orientation variants of the 1T′ phase. We find that such strain-induced variant switching only requires a few percent elastic strain, which is eminently achievable experimentally with transition metal dichalcogenide monolayers. Calculations indicate that the transformation barrier associated with such variant switching is small (
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Monolayers of transition metal dichalcogenides with 1T′ structure therefore have the potential to be ferroelastic and shape memory materials with interesting domain physics. The atoms in two-dimensional transition-metal dichalcogenides can arrange into a number of different structures, or polymorphs. 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Center for Excitonics (CE)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Ferroelasticity and domain physics in two-dimensional transition metal dichalcogenide monolayers</atitle><jtitle>Nature communications</jtitle><stitle>Nat Commun</stitle><addtitle>Nat Commun</addtitle><date>2016-02-24</date><risdate>2016</risdate><volume>7</volume><issue>1</issue><spage>10843</spage><epage>10843</epage><pages>10843-10843</pages><artnum>10843</artnum><issn>2041-1723</issn><eissn>2041-1723</eissn><abstract>Monolayers of transition metal dichalcogenides can exist in several structural polymorphs, including 2H, 1T and 1T′. The low-symmetry 1T′ phase has three orientation variants, resulting from the three equivalent directions of Peierls distortion in the parental 1T phase. Using first-principles calculations, we predict that mechanical strain can switch the relative thermodynamic stability between the orientation variants of the 1T′ phase. 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Here, the authors use first-principles calculations to show that one such polymorph, 1T', can exhibit a large mechanical response to external applied strain.</abstract><cop>London</cop><pub>Nature Publishing Group UK</pub><pmid>26906152</pmid><doi>10.1038/ncomms10843</doi><tpages>1</tpages><oa>free_for_read</oa></addata></record>
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subjects 119/118
639/301/119/1000/1018
639/925
Chalcogenides
condensed matter
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Ferroelasticity
First principles
Genetic transformation
Humanities and Social Sciences
Laboratories
Martensitic transformations
materials science
Mathematical analysis
Mechanical stimuli
Metals
Monolayers
multidisciplinary
nanotechnology
Organic chemistry
Phase transitions
physical sciences
Physics
Science
Science (multidisciplinary)
Shape memory
Strain
Switching
Symmetry
Transition metal compounds
title Ferroelasticity and domain physics in two-dimensional transition metal dichalcogenide monolayers
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