Stanford University2014-08-29 11:17 PM

Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers

Abstract

Mo- and W-dichalcogenide compounds have a two-dimensional monolayer form that differs from graphene in an important respect: it can potentially have more than one crystal structure. Some of these monolayers exhibit tantalizing hints of a poorly understood structural metal-to-insulator transition with the possibility of long metastable lifetimes. If controllable, such a transition could bring an exciting new application space to monolayer materials beyond graphene. Here we discover that mechanical deformations provide a route to switching thermodynamic stability between a semiconducting and a metallic crystal structure in these monolayer materials. Based on state-of-the-art density functional and hybrid Hartree–Fock/density functional calculations including vibrational energy corrections, we discover that MoTe2 is an excellent candidate phase change material. We identify a range from 0.3 to 3% for the tensile strains required to transform MoTe2 under uniaxial conditions at room temperature. The potential for mechanical phase transitions is predicted for all six studied compounds.


Full article:
http://www.nature.com/ncomms/2014/140701/ncomms5214/full/ncomms5214.html

KEYWORDS

SHARE & LIKE

COMMENTS

ABOUT THE AUTHOR

Stanford University

0 Following 0 Fans 0 Projects 20 Articles

SIMILAR ARTICLES

AbstractDesorption electrospray ionization mass spectrometric imaging (DESI-MSI) has been shown to be particularly powerful for identifying lipids and

Read More

AbstractMo- and W-dichalcogenide compounds have a two-dimensional monolayer form that differs from graphene in an important respect: it can potentially

Read More

AbstractBackgroundWe still know little about whether and how the auditory hallucinations associated with serious psychotic disorder shift across cultur

Read More

Keywords:channel networks;erosional processes;symmetry;landscape evolution;random networksAbstractThe branched structure of channel networks has a prim

Read More

IntroductionOver the past three decades, the earnings of workers with a college education have substantially increased relative to those with less educ

Read More

ABSTRACTWe live amid a global wave of anthropogenically driven biodiversity loss: species and population extirpations and, critically, declines in loca

Read More

BackgroundLeber congenital amaurosis, caused by mutations in RPE65 and LRAT, is a severe form of inherited retinal degeneration leading to blindness. W

Read More

AbstractOil palm plantation expansion into tropical forests may alter physical and biogeochemical inputs to streams, thereby changing hydrological func

Read More

AbstractHummingbirds are the only birds that can sustain hovering. This unique flight behaviour comes, however, at high energetic cost. Based on helico

Read More

Abstract Measures of teachers’ “value added” to students’ current test performance feature prominently in ongoing reforms to teacher evaluation systems

Read More