Electronic properties and low lattice thermal conductivity (κl) of mono-layer (ML) MoS2: FP-LAPW incorporated with spin–orbit coupling (SOC)
نویسندگان
چکیده
منابع مشابه
Study of electronic and optical properties of lead telluride ( PbTe ) by using FP - LAPW method
A theoretical study of electronic and optical properties of PbTe using the full-potential augmented plane waves (FP-LAPW) within density-functional theory (DFT) was presented as implemented in WIEN2k code. We adopted the dipole approximation in our optical calculations. The dielectric function was calculated in the momentum representation, which requires matrix elements of the momentum p betwee...
متن کاملLow lattice thermal conductivity of stanene
A fundamental understanding of phonon transport in stanene is crucial to predict the thermal performance in potential stanene-based devices. By combining first-principle calculation and phonon Boltzmann transport equation, we obtain the lattice thermal conductivity of stanene. A much lower thermal conductivity (11.6 W/mK) is observed in stanene, which indicates higher thermoelectric efficiency ...
متن کاملMono-Mono-Mono and Bi-Bi-Bi three-layer graphene systems’ optical conductivity
Investigating the longitudinal optical conductivity of graphene systems, which is the mostimportant property for opto-electronic devices, for three-layer graphene systems theoretically and numerically is the main purpose of this study. Each layer can be mono- or bi-layer graphene. Separation between layers has been denoted by d, selected to be about ten nanometers. The carrier densities i...
متن کاملThermal conductivity of bulk and monolayer MoS2
We show that the lattice contribution to the thermal conductivity of MoS2 strongly dominates the carrier contribution in a broad temperature range from 300 to 800K. Since theoretical insight into the lattice contribution is largely missing, though it would be essential for materials design, we solve the Boltzmann transport equation for the phonons self-consistently in order to evaluate the phon...
متن کاملErratum: Inter-Layer Coupling Induced Valence Band Edge Shift in Mono- to Few-Layer MoS2
Recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here, we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesi...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: RSC Advances
سال: 2020
ISSN: 2046-2069
DOI: 10.1039/d0ra02585b