Open AccessQuantum transport model for zigzag molybdenum disulfide nanoribbon structures : A full quantum framework
Author(s) -
ChunNan Chen,
Feng-Lin Shyu,
Hsien-Ching Chung,
Chiun-Yan Lin,
Jhao-Ying Wu
Publication year - 2016
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.4962346
Subject(s) - zigzag , conductance , molybdenum disulfide , density functional theory , quantization (signal processing) , quantum , condensed matter physics , density of states , materials science , tight binding , electronic band structure , electronic structure , quantum mechanics , physics , geometry , computer science , mathematics , metallurgy , computer vision
Mainly based on non-equilibrium Green’s function technique in combination with the three-band model, a full atomistic-scale and full quantum method for solving quantum transport problems of a zigzag-edge molybdenum disulfide nanoribbon (zMoSNR) structure is proposed here. For transport calculations, the relational expressions of a zMoSNR crystalline solid and its whole device structure are derived in detail and in its integrity. By adopting the complex-band structure method, the boundary treatment of this open boundary system within the non-equilibrium Green’s function framework is so straightforward and quite sophisticated. The transmission function, conductance, and density of states of zMoSNR devices are calculated using the proposed method. The important findings in zMoSNR devices such as conductance quantization, van Hove singularities in the density of states, and contact interaction on channel are presented and explored in detail
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom