arXiv:1503.05331 2015Īksoy, R., Ma, Y., Selvi, E., Chyu, M.C., Ertas, A., White, A.: X-ray diffraction study of molybdenum disulfide to 38.8 GPa. 113, 036802–036806 (2014)Ĭhi, Z., Yen, F., Peng, F., et al.: Ultrahigh pressure superconductivity in molybdenum disulfide. B 87, 144105 (2013)Ĭhi, Z., et al.: Pressure-induced metallization of molybdenum disulfide. Hromadová, L., Martoňák, R., Tosatti, E.: Structure change, layer sliding, and metallization in high-pressure MoS 2. Rifliková, M., Martoňák, R., Tosatti, E.: Pressure-induced gap closing and metallization of MoSe 2 and MoTe 2. Nayak, A.P., Bhattacharyya, S., Zhu, J., et al.: Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide. Liu, K., et al.: Evolution of interlayer coupling in twisted molybdenum disulfide bilayers. He, J., Hummer, K., Franchini, C.: Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS 2, MoSe 2, WS 2, and WSe 2. Martin, J.M., Donnet, C., Le Mogne, T., et al.: Superlubricity of molybdenum disulphide. Johari, P., Shenoy, V.B.: Tuning the electronic properties of semiconducting transition metal dichalcogenides by applying mechanical strains. 106, 235502–235505 (2011)Ĭheiwchanchamnangij, T., Lambrecht, W.R.L.: Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS 2. Rondinelli, J.M., Coh, S.: Large isosymmetric reorientation of oxygen octahedra rotation axes in epitaxially strained perovskites. Holland, M., Charles, N., Rondinelli, J.M., et al.: Reconstructive transitions from rotations of rigid heteroanionic polyhedra. Jang, H.W., Felker, D.A., Bark, C.W., et al.: Metallic and insulating oxide interfaces controlled by electronic correlations. Lu, X.-Z., Rondinelli, J.M.: Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxides. Zhang, Y.N., Bortolani, V., Mistura, G.: Determination of corrugation and friction of Cu (111) toward adsorption and motion of Ne and Xe. Sun, J., Zhang, Y., Lu, Z., Xue, Q., Wang, L.: Attraction induced frictionless sliding of rare gas monolayer on metallic surfaces: an efficient strategy for superlubricity. Righi, M.C., Ferrario, M.: Pressure induced friction collapse of rare gas boundary layers sliding over metal surfaces. Mo, Y., Turner, K.T., Szlufarska, I.: Friction laws at the nanoscale. 104, 212102–212105 (2014)ĭuwal, S., Yoo, C.S.: Shear-induced isostructural phase transition and metallization of layered tungsten disulfide under nonhydrostatic compression. Ke, F., Liu, C., Gao, Y., et al.: Interlayer-glide-driven isosymmetric phase transition in compressed In 2Se 3. By elucidating these criteria, we suggest that the study may be thus extended to understand the macroscopic properties of the bulk layered crystals such as the possible occurrence of phase transitions taking place at solid interfaces from the atomistic sliding mechanisms at the microscopic scale. These results agree with recent experimental and dynamics observations of the transition occurring almost completely at 28–30 GPa in bulk crystals. The structural transition from 2 H c-MoS 2 to 2 H a-MoS 2 is thus triggered, which allows for the semiconductor–metal transition of the bilayer under pressure. Interestingly, even though the 2 H a stacking becomes more stable than the 2 H c stacking at a load of about 9.2 GPa, a spontaneous slippage would take place only around 30.1 GPa, when the sliding barrier of saddle stacking vanishes as a consequence of the load-driven modification of the potential energy surface. The density functional calculations demonstrate the pressure-driven evolution of interlayer potential energy landscape, providing the preferred sliding pathway for initiating mutual sliding of crystal faces between MoS 2 bilayers. Here, we address the tribological determination of the pressure-driven interlayer sliding for the structural and electric tuning in compressed MoS 2 bilayer by using ab initio calculations. The isostructural phase transitions such as in compressed molybdenum disulfide (MoS 2) are ubiquitous in nature, but surprisingly, how and why the vertical compression driven lateral interlayer sliding are still open questions of interest.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |