Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Nature Communications

Volumn 5, Issue , 2014, Pages

  Nayak, Avinash P ^a   Bhattacharyya, Swastibrata ^b   Zhu, Jie ^c,d   Liu, Jin ^c   Wu, Xiang ^c   Pandey, Tribhuwan ^b   Jin, Changqing ^d   Singh, Abhishek K ^b   Akinwande, Deji ^a   Lin, Jung Fu ^c  

^a The University of Texas at Austin   (United States)

^b INDIAN INSTITUTE OF SCIENCE   (India)

^c UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^d INSTITUTE OF PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DISULFIDE; MOLYBDENUM; MOLYBDENUM DISULFIDE; NANOMATERIAL; TRANSITION ELEMENT; UNCLASSIFIED DRUG;

ELECTRONIC EQUIPMENT; MOLYBDENUM; NANOTECHNOLOGY; SEMICONDUCTOR INDUSTRY; SULFUR;

AB INITIO CALCULATION; ARTICLE; CRYSTAL STRUCTURE; DISPERSION; DISULFIDE BOND; ELECTRIC CONDUCTIVITY; ELECTRIC POTENTIAL; ELECTRIC RESISTANCE; ELECTRON DIFFRACTION; HYDROSTATIC PRESSURE; MODULATION; MOLECULAR INTERACTION; PHASE TRANSITION; PHONON; PHOTOCHEMISTRY; PRESSURE; PRODUCT DEVELOPMENT; RAMAN SPECTROMETRY; SEMICONDUCTOR; TRANSITION TEMPERATURE; TRANSMISSION ELECTRON MICROSCOPY; X RAY DIFFRACTION;

EID: 84899999654     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms4731     Document Type: Article

References (65)

1. Wang, Q. H. et al. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nature Nanotechnol. 7, 699-712 (2012).
2. Butler, S. Z. et al. Progress, challenges, and opportunities in two-dimensional materials beyond graphene. ACS Nano 7, 2898-2926 (2013).
3. Fontana, M. et al. Electron-hole transport and photovoltaic effect in gated MoS2 Schottky junctions. Sci. Rep. 3, 1634 (2013).
4. Yin, Z. et al. Single-layer MoS2 phototransistors. ACS Nano 6, 74-80 (2011).
5. Lee, H. S. et al. MoS2 nanosheet phototransistors with thickness-modulated optical energy gap. Nano Lett. 12, 3695-3700 (2012).
6. Behnia, K. Condensed-matter physics: Polarized light boosts valleytronics. Nat. Nanotechnol. 7, 488-489 (2012).
7. Zeng, H. et al. Valley polarization in MoS2 monolayers by optical pumping. Nat. Nanotechnol. 7, 490-493 (2012).
8. Ghorbani-Asl, M. et al. Electromechanics in MoS2 and WS2: Nanotubes versus monolayers. Sci. Rep. 3, 2961 (2013).
9. Splendiani, A. et al. Emerging photoluminescence in monolayer MoS2. Nano Lett. 10, 1271-1275 (2010).
10. Sachs, B. et al. Doping mechanisms in graphene-MoS2 Hybrids. Appl. Phys. Lett. 103, 251607 (2013).
11. Ataca, C., Sahin, H., Aktürk, E. & Ciraci, S. Mechanical and electronic properties of MoS2 nanoribbons and their defects. J. Phys. Chem. C 115, 3934-3941 (2011).
12. Radisavljevic, B. & Kis, A. Mobility engineering and a metal-insulator transition in monolayer MoS2. Nat. Mater. 12, 815-820 (2013).
13. Tongay, S. et al. Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS2. Nano Lett. 12, 5576-5580 (2012).
14. Eda, G. et al. Photoluminescence from chemically exfoliated MoS2. Nano Lett. 11, 5111-5116 (2011).
15. Ataca, C. & Ciraci, S. Functionalization of single-layer MoS2 honeycomb structures. J. Phys. Chem. C 115, 13303-13311 (2011).
16. Qiu, H. et al. Hopping transport through defect-induced localized states in molybdenum disulphide. Nat Commun. 4, 2642 (2013).
17. Fu, D. et al. Mechanically modulated tunneling resistance in monolayer MoS2. Appl. Phys. Lett. 103, 183105-1-183105-3 (2013).
18. Bhattacharyya, S. & Singh, A. K. Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides. Phys. Rev. B 86, 075454-075454 (2012).
19. Johari, P. & Shenoy, V. B. Tuning the electronic properties of semiconducting transition metal dichalcogenides by applying mechanical strains. ACS Nano 6, 5449-5456 (2012).
20. Wei, L. et al. MoS2. Phys. B: Condens. Matter. 405, 2498-2502 (2010).
21. Dave, M. et al. High pressure effect on MoS2 and MoSe2 single crystals grown by CVT method. Bull. Mater. Sci. 27, 213-216 (2004).
22. Hromadová, L. et al. Structure change, layer sliding, and metallization in highpressure MoS2. Phys. Rev. B 87, 144105-144105 (2013).
23. Zhu, J. et al. Superconductivity in topological insulator Sb2Te3 induced by pressure. Sci. Rep. 3, 2016 (2013).
24. Liu, B. et al. Pressure induced semiconductor-semimetal transition in WSe2. J. Phys. Chem. C 114, 14251-14254 (2010).
25. Proctor, J. E. et al. High-pressure Raman spectroscopy of graphene. Phys. Rev. B 80, 073408 (2009).
26. Jayaraman, A. Diamond anvil cell and high-pressure physical investigations. Rev. Mod. Phys. 55, 65-108 (1983).
27. Ashcroft, N. W. & Mermin, N. D. Solid State Physics (Rinehart and Winston, 1976).
28. Yue, Q. et al. Mechanical and electronic properties of monolayer MoS2 under elastic strain. Phys. Lett. A 376, 1166-1170 (2012).
29. Lee, C. et al. Anomalous lattice vibrations of single-and few-layer MoS2. ACS Nano 4, 2695-2700 (2010).
30. Livneh, T. & Sterer, E. Resonant Raman scattering at exciton states tuned by pressure and temperature in 2H-MoS2. Phys. Rev. B 81, 195209-195209 (2010).
31. Molina-Sánchez, A. & Wirtz, L. Phonons in single-layer and few-layer MoS2 and WS2. Phys. Rev. B 84, 155413 (2011).
32. Nicolle, J. et al. Pressure-mediated doping in graphene. Nano Lett. 11, 3564-3568 (2011).
33. Conley, H. J. et al. Bandgap engineering of strained monolayer and bilayer MoS2. Nano Lett. 13, 3626-3630 (2013).
34. Mittal, R. et al. Phonon softening and pressure-induced phase transitions in quartz structured compound, FePO4. Preprint at http://arxiv.org/abs/0903. 1550 (2009).
35. Hearn, C. J. Phonon softening and the metal-insulator transition in VO2. J. Phys. C Solid State Phys. 5, 1317 (1972).
36. Yan, J. et al. Observation of anomalous phonon softening in bilayer graphene. Phys. Rev. Lett. 101, 136804 (2008).
37. Huang, M. et al. Phonon softening and crystallographic orientation of strained graphene studied by Raman spectroscopy. Proc. Natl Acad. Sci. USA 106, 7304-7308 (2009).
38. Kudo, K. et al. Giant phonon softening and enhancement of superconductivity by phosphorus doping of BaNi2As2. Phys. Rev. Lett. 109, 097002 (2012).
39. Bera, A. et al. Sharp Raman anomalies and broken adiabaticity at a pressure induced transition from band to topological insulator in Sb2Se3. Phys. Rev. Lett. 110, 107401 (2013).
40. Kam, K. K. & Parkinson, B. A. Detailed photocurrent spectroscopy of the semiconducting group VIB transition metal dichalcogenides. J. Phys. Chem. 86, 463-467 (1982).
41. Perdew, J. P. & Zunger, A. Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23, 5048-5079 (1981).
42. Heyd, J. et al. Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118, 8207-8215 (2003).
43. Hedin, L. New method for calculating the one-particle greens function with application to the electron-gas problem. Phys. Rev. 139, A796-A823 (1965).
44. Choi, W. et al. High-detectivity multilayer MoS2 phototransistors with spectral response from ultraviolet to infrared. Adv. Mater. 24, 5832-5836 (2012).
45. Von Dreele, R. B. & Larson, A. C. General structure analysis system. Regents of the University of California (2001).
46. Guo, H. et al. High pressure effect on structure, electronic structure, and thermoelectric properties of MoS2. J. Appl. Phys. 113, 0137091-0137097 (2013).
47. Kobayashi, H. et al. Pressure-induced semiconductor-metal-semiconductor transitions in FeS. Phys. Rev. B 63, 115203-1-115203-7 (2001).
48. Feinleib, J. & Paul, W. Semiconductor-to-metal transition in V2O3. Phys. Rev. 155, 841-850 (1967).
49. Berglund, C. N. & Guggenheim, H. J. Electronic properties of VO2 near the semiconductor-metal transition. Phys. Rev. 185, 1022-1033 (1969).
50. Aksoy, R. et al. X-ray diffraction study of molybdenum disulphide to 38.8 GPa. J. Phys. Chem. Solids 67, 1914-1917 (2006).
51. Schroder, D. K. Semiconductor material and device characterization (John Wiley & Sons, 2006).
52. Hammersley, A. P. et al. Two-dimensional detector software: From real detector to idealised image or two-theta scan. High Pressure Res. 14, 235-248 (1996).
53. Meade, C. & Jeanloz, R. Static compression of Ca(OH)2 at room temperature: Observations of amorphization and equation of state measurements to 10.7 GPa. Geophys. Res. Lett. 17, 1157-1160 (1990).
54. Liu, H. et al. Static compression of a-Fe2O3: Linear incompressibility of lattice parameters and high-pressure transformations. Phys. Chem. Minerals 30, 582-588 (2003).
55. Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558-561 (1993).
56. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
57. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
58. Perdew, J. P. et al. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
59. Grimme, S Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27, 1787-1799 (2006).
60. Gonze, X. & Lee, C. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory. Phys. Rev. B 55, 10355-10368 (1997).
61. Togo, A. et al. First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures. Phys. Rev. B 78, 134106 (2008).
62. Ziman, J. M. Principles of the Theory of Solids (Cambridge University Press, 1972).
63. Madsen, G. K. H. & Singh, D. J. BoltzTraP. A code for calculating bandstructure dependent quantities. Comput. Phys. Commun. 175, 67-71 (2006).
64. Boyer, L. L. Symmetrized Fourier method for interpolating band-structure results. Phys. Rev. B 19, 2824-2830 (1979).
65. El-Mahalawy, S. H. & Evans, B. L. Temperature dependence of the electrical conductivity and hall coefficient in 2H-MoS2, MoSe2, WSe2, and MoTe2. Phys. Status Solid. B 79, 713-722 (1977).