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

Nature Communications

Volumn 7, Issue , 2016, Pages

  Li, Wenbin ^a   Li, Ju ^b  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b Massachusetts Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DICHALCOGENIDE MONOLAYER; TRANSITION ELEMENT; UNCLASSIFIED DRUG;

CHEMICAL ANALYSIS; ORIENTATION; PHYSICAL ANALYSIS; SHAPE ANALYSIS; SHEAR STRAIN; STRAIN ANALYSIS; THERMODYNAMICS;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELASTICITY; FERROELASTICITY; PHYSICS; THERMODYNAMICS;

EID: 84959422906     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms10843     Document Type: Article

References (50)

1. Novoselov, K. S. et al. Two-dimensional atomic crystals. Proc. Natl Acad. Sci. USA 102, 10451-10453 (2005).
2. Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S. & Geim, A. K. The electronic properties of graphene. Rev. Mod. Phys. 81, 109-162 (2009).
3. Lee, C., Wei, X. D., Kysar, J. W. & Hone, J. Measurement of the elastic properties and intrinsic strength of monolayer graphene. Science 321, 385-388 (2008).
4. Wang, Q. H., Kalantar-Zadeh, K., Kis, A., Coleman, J. N. & Strano, M. S. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat. Nanotechnol. 7, 699-712 (2012).
5. Xu, X., Yao, W., Xiao, D. & Heinz, T. F. Spin and pseudospins in layered transition metal dichalcogenides. Nat. Phys. 10, 343-350 (2014).
6. Xia, F., Wang, H., Xiao, D., Dubey, M. & Ramasubramaniam, A. Two-dimensional material nanophotonics. Nat. Photon. 8, 899-907 (2014).
7. 2: A new direct-gap semiconductor. Phys. Rev. Lett. 105, 136805 (2010).
8. 2 by optical helicity. Nat. Nanotechnol. 7, 494-498 (2012).
9. 2 monolayers by optical pumping. Nat. Nanotechnol. 7, 490-493 (2012).
10. 2. ACS Nano 5, 9703-9709 (2011).
11. Cooper, R. C. et al. Nonlinear elastic behavior of two-dimensional molybdenum disulfide. Phys. Rev. B 87, 035423 (2013).
12. Feng, J., Qian, X. F., Huang, C. W. & Li, J. Strain-engineered artificial atom as a broad-spectrum solar energy funnel. Nat. Photon. 6, 866-872 (2012).
13. 2 transistors. Nat. Nanotechnol. 6, 147-150 (2011).
14. 2 field-effect transistors on hexagonal boron nitride-graphene heterostructures. ACS Nano 7, 7931-7936 (2013).
15. Fiori, G. et al. Electronics based on two-dimensional materials. Nat. Nanotechnol. 9, 768-779 (2014).
16. Wilson, J. A. & Yoffe, A. D. Transition metal dichalcogenides discussion and interpretation of observed optical, electrical and structural properties. Adv. Phys. 18, 193-335 (1969).
17. 2 elucidated by electron crystallography. J. Am. Chem. Soc. 121, 638-643 (1999).
18. 2. ACS Nano 6, 7311-7317 (2012).
19. Duerloo, K. A. N., Li, Y. & Reed, E. J. Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers. Nat. Commun. 5, 4214 (2014).
20. 2. Nat. Phys. 11, 482-486 (2015).
21. 2. Nature 514, 205-208 (2014).
22. Qian, X.-F., Liu, J.-W., Fu, L. & Li, J. Quantum spin Hall effect in twodimensional transition metal dichalcogenides. Science 346, 1344-1347 (2014).
23. Park, J. C. et al. Phase-engineered synthesis of centimeter-scale 1T'-and 2H-molybdenum ditelluride thin films. ACS Nano 9, 6548-6554 (2015).
24. 2. J. Am. Chem. Soc. 137, 11892-11895 (2015).
25. 2 nanosheets for hydrogen evolution. Nat. Mater. 12, 850-855 (2013).
26. Aizu, K. Possible species of ferroelastic crystals and of simultaneously ferroelectric and fer-roelastic crystals. J. Phys. Soc. Jpn 27, 387-396 (1969).
27. Salje, E. K. H. Ferroelastic materials. Annu. Rev. Mater. Res. 42, 265-283 (2012).
28. Salje, E. K. H. Phase Transitions in Ferroelastic and Co-Elastic Crystals (Cambridge Univ. Press, 1990).
29. Kushima, A., Qian, X.-F., Zhao, P., Zhang, S.-L. & Li, J. Ripplocations in van der Waals layers. Nano Lett. 15, 1302-1308 (2015).
30. Henkelman, G., Uberuaga, B. P. & Jonsson, H. A climbing image nudged elastic band method for finding saddle points and minimum energy paths. J. Chem. Phys. 113, 9901-9904 (2000).
31. Sheppard, D., Xiao, P., Chemelewski, W., Johnson, D. D. & Henkelman, G. A generalized solid-state nudged elastic band method. J. Chem. Phys. 136, 074103 (2012).
32. Tang, S., Mahanti, S. D. & Kalia, R. K. Ferroelastic phase transition in two-dimensional molecular solids. Phys. Rev. Lett. 56, 484-487 (1986).
33. Huang, P. Y. et al. Grains and grain boundaries in single-layer graphene atomic patchwork quilts. Nature 469, 389-392 (2011).
34. van der Zande, A. M. et al. Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide. Nat. Mater. 12, 554-561 (2013).
35. 2. Science 349, 625-628 (2015).
36. 2. Acta Crystallogr. 20, 268-274 (1966).
37. Voiry, D., Mohite, A. & Chhowalla, M. Phase engineering of transition metal dichalco-genides. Chem. Soc. Rev. 44, 2702-2712 (2015).
38. Chhowalla, M., Voiry, D., Yang, J., Shin, H. S. & Loh, K. P. Phase-engineered transition-metal dichalcogenides for energy and electronics. MRS Bull. 40, 585-591 (2015).
39. 2 in aqueous suspension. Phys. Rev. B 65, 125407 (2002).
40. 2 phases. J. Phys. Chem. C 115, 24586-24591 (2011).
41. Bhattacharya, K. Microstructure of Martensite: Why It Forms and How IT Gives Rise to the Shape-Memory Effect (Oxford Univ. Press, 2003).
42. Salje, E. & Zhang, H. Domain boundary engineering. Phase Transit. 82, 452-469 (2009).
43. Lebegue, S., Bjorkman, T., Klintenberg, M., Nieminen, R. M. & Eriksson, O. Two-dimensional materials from data filtering and Ab Initio calculations. Phys. Rev. X 3, 031002 (2013).
44. 2: two-dimensional semiconductor with tunable in-plane anisotropy. ACS Nano 9, 11249-11257 (2015).
45. Kresse, G. & Furthmiiller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15-50 (1996).
46. Kresse, G. & Furthmiiller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
47. Blochl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
48. Perdew, J. P. et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46, 6671-6687 (1992).
49. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
50. Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188-5192 (1976).