Using calculated values of n eff and 蔚 x eff, the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values...
Folding MoS2 monolayers to obtain bilayers with different stacking orders results in enhanced valley- and spin-polarizations compared with natural Bernal-stacked bilayers. Artificial structures made of stacked two-dimensional crystals have recently been
Electronic structure and optical properties of realistic transition metal dichalcogenide heterostructures Komsa, Hannu-Pekka,Krasheninnikov, A... - 《Chemical Physics Letters》 - 2013 - 被引量: 86 Phonon engine...
Observation of robust charge transfer under strain engineering in two-dimensional MoS2-WSe2heterostructures. Strain is one of the effective ways to modulate the band structure of monolayer transition metal dichalcogenides (TMDCs), which has been reported in theoretical and steady-state spectroscopic studie...
Below is the band structure of MoS2 using a primitive cell. The calculation was performed with VASP and the input files can be found in the examples/unfold/primitiveCreate the supercell from the primitive cell, in my case, the supercell is of the size 3x3x1, which means that the ...
Below is the band structure of MoS2 using a primitive cell. The calculation was performed with VASP and the input files can be found in the examples/unfold/primitiveCreate the supercell from the primitive cell, in my case, the supercell is of the size 3x3x1, which means that the ...
et al. Band structure of MoS2, MoSe2 and a-MoTe2: angle-resolved photoelectron spectroscopy and ab initio calculations. Phys. Rev. B 64, 235305 (2001). 34. Mahatha, S. K., Patel, K. D. & Menon, K. S. R. Electronic structure investigation of MoS2 and MoSe2 using angle-resolved ...
Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2 Quasiparticle self-consistent GW calculations of the band structures and related effective-mass parameters are carried out for bulk, monolayer, and bilayer... T Cheiwchanchamnangij,WRL Lambrecht - 《Phys.rev.b》 被引量: ...
However, modification of the graphene band structure occurs at rather larger binding energies, as the opening of several miniband-gaps is observed. These miniband-gaps resulting from the overlay of MoS2 and the graphene layer lattice impose a superperiodic potential. 展开 关键词: band alignment ...
First-principles study on the electronic and optical properties of pn-type SnO/MoS2 heterojunction tuned by various intrinsic vacancy defects and layer thi... 2024 Elsevier LtdThe impact of various intrinsic point defects and layer thicknesses on the electronic structure and optical properties of pn...