The effects of thermal and electric fields on the electronic structures of silicene
文献信息
We have investigated the effects of thermal and electric fields on the electronic properties of silicene. The effects were studied by a statistical analysis of canonical ensembles combined with the tight binding method. The tight binding parameters of silicene were obtained by fitting with the first principles results. We analysed the statistics of the gaps, the masses of the Dirac fermions and the effective speeds of light as a function of the cell dimension N. We show that the symmetry breaking caused by the buckling disorder in the thermal field alters the band structures of the silicene with small cells greatly. However, the buckling variation of any atom is compensated by other atoms in a large cell. Thus the band structure features near the Fermi energy in the pristine silicene are still protected by the sublattice symmetry in the thermal field. Moreover, the thermal field enhances the effect of the electric field to generate a band gap. The randomly buckled silicene needs a much smaller electric field than the pristine silicene. The higher temperature corresponds to a larger gap under the same electric field. All these features make silicene a better candidate for electronic devices at ambient temperature.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














