Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

Nature Communications

Volumn 6, Issue , 2015, Pages

  Zhao, Zhao ^a   Zhang, Haijun ^a,b   Yuan, Hongtao ^c,d   Wang, Shibing ^a,d   Lin, Yu ^a   Zeng, Qiaoshi ^e,f   Xu, Gang ^c   Liu, Zhenxian ^e   Solanki, G K ^g   Patel, K D ^g   Cui, Yi ^c,d   Hwang, Harold Y ^c,d   Mao, Wendy L ^a,d  

^a STANFORD UNIVERSITY   (United States)

^b NANJING UNIVERSITY   (China)

^c STANFORD UNIVERSITY   (United States)

^d SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^e GEOPHYSICAL LABORATORY   (United States)

^f CENTER FOR HIGH PRESSURE SCIENCE AND TECHNOLOGY ADVANCED RESEARCH   (China)

^g SARDAR PATEL UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; MOLYBDENUM;

ANION; ANISOTROPY; CRYSTAL STRUCTURE; ELECTRICAL PROPERTY; ELECTRON; ELECTRONIC EQUIPMENT; EXPERIMENTAL DESIGN; FRACTIONATION; GEOMETRY; INORGANIC COMPOUND; MOLYBDENUM; PRESSURE FIELD; SELENIUM; TRANSITION ELEMENT; VISIBLE SPECTRUM;

AB INITIO CALCULATION; ARTICLE; CALCULATION; ELECTRONICS; GEOMETRY; INFRARED RADIATION; INFRARED SPECTROSCOPY; LIGHT; PRESSURE; RAMAN SPECTROMETRY;

EID: 84935015550     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms8312     Document Type: Article

References (63)

1. Novoselov, K. S. et al. Two-dimensional atomic crystals. Proc. Natl. Acad. Sci. 102, 10451-10453 (2005).
2. Mak, K. F., Lee, C., Hone, J., Shan, J. & Heinz, T. F. Atomically Thin MoS2: A New Direct-Gap Semiconductor. Phys. Rev. Lett. 105, 136805 (2010).
3. Komsa, H.-P. et al. Two-Dimensional Transition Metal Dichalcogenides under Electron Irradiation: Defect Production and Doping. Phys. Rev. Lett. 109, 035503 (2012).
4. Tongay, S. et al. Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS2. Nano Lett. 12, 5576-5578 (2012).
5. 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).
6. Xiao, D., Liu, G.-B., Feng, W., Xu, X. & Yao, W. Coupled Spin and Valley Physics in Monolayers of MoS2 and Other Group-VI Dichalcogenides. Phys. Rev. Lett. 108, 196802 (2012).
7. Han, S. W. et al. Controlling Ferromagnetic Easy Axis in a Layered MoS2 Single Crystal. Phys. Rev. Lett. 110, 247201 (2013).
8. Jin, W. et al. Direct Measurement of the Thickness-Dependent Electronic Band Structure of MoS2 Using Angle-Resolved Photoemission Spectroscopy. Phys. Rev. Lett. 111, 106801 (2013).
9. Li, X., Zhang, F. & Niu, Q. Unconventional Quantum Hall Effect and Tunable Spin Hall Effect in Dirac Materials: Application to an Isolated MoS2 Trilayer. Phys. Rev. Lett. 110, 066803 (2013).
10. Mkhonta, S. K., Elder, K. R. & Huang, Z.-F. Exploring the Complex World of Two-Dimensional Ordering with Three Modes. Phys. Rev. Lett. 111, 035501 (2013).
11. Qiu, D. Y., da Jornada, F. H. & Louie, S. G. Optical Spectrum of MoS2: Many-Body Effects and Diversity of Exciton States. Phys. Rev. Lett. 111, 216805 (2013).
12. Sun, L. et al. Spin-Orbit Splitting in Single-Layer MoS2 Revealed by Triply Resonant Raman Scattering. Phys. Rev. Lett. 111, 126801 (2013).
13. Wang, H., Lu, Z., Xu, S. & Kong, D. Electrochemical tuning of vertically aligned MoS2 nanofilms and its application in improving hydrogen evolution reaction. Proc. Natl. Acad. Sci. 110, 19701-19706 (2013).
14. Yuan, H. et al. Zeeman-type spin splitting controlled by an electric field. Nat. Phys. 9, 563-569 (2013).
15. Zhang, Y., Chang, T., Zhou, B. & Cui, Y. Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2. Nat. Nanotechnol. 9, 111-115 (2014).
16. Yuan, H. et al. Generation and electric control of spin-valley-coupled circular photogalvanic current in WSe2. Nat. Nanotechnol. 9, 851-857 (2014).
17. Ramasubramaniam, A., Naveh, D. & Towe, E. Tunable band gaps in bilayer transition-metal dichalcogenides. Phys. Rev. B 84, 205325 (2011).
18. Yun, W. S., Han, S. W., Hong, S. C., Kim, I. G. & Lee, J. D. Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2 semiconductors (M=Mo, W; X=S, Se, Te). Phys. Rev. B 85, 033305 (2012).
19. Zhu, C. R. et al. Strain tuning of optical emission energy and polarization in monolayer and bilayer MoS2. Phys. Rev. B 88, 121301(R) (2013).
20. Hui, Y. Y. et al. Exceptional tunability of band energy in a compressively strained trilayer MoS2 sheet. ACS Nano 7, 7126-7131 (2013).
21. Kaplan-Ashiri, I. et al. On the mechanical behavior of WS2 nanotubes under axial tension and compression. Proc. Natl. Acad. Sci. 103, 523-528 (2006).
22. Johari, P. & Shenoy, V. B. Tuning the Electronic Properties of Semiconducting Transition Metal Dichalcogenides by Applying Mechanical Strains. ACS Nano 6, 5449-5456 (2012).
23. Bhattacharyya, S. & Singh, A. K. Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides. Phys. Rev. B 86, 075454 (2012).
24. Peelaers, H. & Van de Walle, C. G. Effects of strain on band structure and effective masses in MoS2. Phys. Rev. B 86, 241401(R) (2012).
25. Cheiwchanchamnangij, T., Lambrecht, W. R. L., Song, Y. & Dery, H. Strain effects on the spin-orbit-induced band structure splittings in monolayer MoS2 and graphene. Phys. Rev. B 88, 155404 (2013).
26. Chang, C.-H., Fan, X., Lin, S.-H. & Kuo, J.-L. Orbital analysis of electronic structure and phonon dispersion in MoS2, MoSe2, WS2, and WSe2 monolayers under strain. Phys. Rev. B 88, 195420 (2013).
27. Jayaraman, A. Diamond anvil cell and high-pressure physical investigations. Rev. Mod. Phys. 55, 65-108 (1983).
28. Mujica, A., Rubio, A., Muñoz, A. & Needs, R. J. High-pressure phases of group-IV, III - V, and II - VI compounds. Rev. Mod. Phys. 75, 863-912 (2003).
29. Arcangeletti, E. et al. Evidence of a Pressure-Induced Metallization Process in Monoclinic VO2. Phys. Rev. Lett. 98, 196406 (2007).
30. Vilaplana, R. et al. High-pressure vibrational and optical study of Bi2Te3. Phys. Rev. B 84, 104112 (2011).
31. Segura, A. et al. Trapping of three-dimensional electrons and transition to twodimensional transport in the three-dimensional topological insulator Bi2Se3 under high pressure. Phys. Rev. B 85, 195139 (2012).
32. Aksoy, R. et al. X-ray diffraction study of molybdenum disulfide to 38.8 GPa. J. Phys. Chem. Solids 67, 1914-1917 (2006).
33. Livneh, T. & Sterer, E. Resonant Raman scattering at exciton states tuned by pressure and temperature in 2H-MoS2. Phys. Rev. B 81, 195209 (2010).
34. Nayak, A. P. et al. Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide. Nat. Commun. 5, 3731 (2014).
35. Chi, Z.-H. et al. Pressure-Induced Metallization of Molybdenum Disulfide. Phys. Rev. Lett. 113, 036802 (2014).
36. Hromadová, L., Marton?ák, R. & Tosatti, E. Structure change, layer sliding, and metallization in high-pressure MoS2. Phys. Rev. B 87, 144105 (2013).
37. Aksoy, R., Selvi, E. & Ma, Y. X-ray diffraction study of molybdenum diselenide to 35.9 GPa. J. Phys. Chem. Solids 69, 2138-2140 (2008).
38. Sugai, S. & Ueda, T. High-pressure Raman spectroscopy in the layered materials 2H-MoS2, 2H-MoSe2, and 2H-MoTe2. Phys. Rev. B 26, 6554-6558 (1982).
39. Dave, M., Vaidya, R., Patel, S. G. & Jani, A. R. High pressure effect on MoS2 and MoSe2 single crystals grown by CVT method. Bull. Mater. Sci. 27, 213-216 (2004).
40. Rifliková, M., Marton?ák, R. & Tosatti, E. Pressure-induced gap closing and metallization of MoSe2 and MoTe2. Phys. Rev. B 90, 035108 (2014).
41. James, P. B. & Lavik, M. T. The crystal structure of MoSe2. Acta Crystallogr. 16, 1183-1183 (1963).
42. Wilson, J. A. & Yoffe, A. D. The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties. Adv. Phys. 18, 193-335 (1969).
43. Fox, M. in Opt. Prop. Solids (Oxford Univ. Press, 2010).
44. Mahatha, S. K., Patel, K. D. & Menon, K. S. R. Electronic structure investigation of MoS2 and MoSe2 using angle-resolved photoemission spectroscopy and ab initio band structure studies. J. Phys. Condens. Matter 24, 475504 (2012).
45. Coehoorn, R. et al. Electronic structure of MoSe2, MoS2, and WSe2. I. Bandstructure calculations and photoelectron spectroscopy. Phys. Rev. B 35, 6195 (1987).
46. Selvi, E., Aksoy, R., Knudson, R. & Ma, Y. High-pressure X-ray diffraction study of tungsten diselenide. J. Phys. Chem. Solids 69, 2311-2314 (2008).
47. Liu, B. et al. Pressure Induced Semiconductor-Semimetal Transition in WSe2. J. Phys. Chem. C 114, 14251-14254 (2010).
48. Bandaru, N. et al. Structural stability of WS2 under high pressure. Int. J. Mod. Phys. B 28, 1450168-1-10 (2014).
49. Polian, A. et al. Two-dimensional pressure-induced electronic topological transition in Bi2Te3. Phys. Rev. B 83, 113106 (2011).
50. Zhang, J. et al. Electronic topological transition and semiconductor-to-metal conversion of Bi2Te3 under high pressure. Appl. Phys. Lett. 103, 052102 (2013).
51. Gomis, O. et al. Lattice dynamics of Sb2Te3 at high pressures. Phys. Rev. B 84, 174305 (2011).
52. Zhao, J. et al. Pressure-induced disordered substitution alloy in Sb2Te3. Inorg. Chem. 50, 11291-11293 (2011).
53. Bera, A. et al. Sharp Raman Anomalies and Broken Adiabaticity at a Pressure Induced Transition from Band to Topological Insulator in Sb2 Se3. Phys. Rev. Lett. 110, 107401 (2013).
54. Zhang, J. et al. Impurity level evolution and majority carrier-type inversion of Ag2S under extreme compression: Experimental and theoretical approaches. Appl. Phys. Lett. 103, 082116 (2013).
55. Zhao, Z., Wang, S., Zhang, H. & Mao, W. L. Pressure induced structural transitions and metallization in Ag2Te. Phys. Rev. B 88, 024120 (2013).
56. Zhao, Z. et al. Tuning the crystal structure and electronic states of Ag2Se: Structural transitions and metallization under pressure. Phys. Rev. B 89, 180102(R) (2014).
57. Agarwal, M. K., Patel, P. D. & Gupta, S. K. Effect of doping MoSe2 single crystals with rhenium. J. Cryst. Growth 129, 559-562 (1993).
58. Toby, B. H. EXPGUI, a graphical user interface for GSAS. J. Appl. Cryst. 34, 210-213 (2001).
59. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
60. Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558-561 (1993).
61. Hohenberg, P. & Kohn, W. Inhomogeneous electron gas. Phys. Rev. 155, 864-871 (1964).
62. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
63. Heyd, J., Scuseria, G. E. & Ernzerhof, M. Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 124, 8207-8215 (2006).