In recent years, predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed …
We show that nitrogen-vacancy (NV) centers in diamond interfaced with a suspended carbon nanotube carrying a dc current can facilitate a spin-nanomechanical hybrid device …
We calculate the radiative lifetime and energy bandstructure of excitons in semiconducting carbon nanotubes within a tight-binding approach including the electron− hole correlations …
We have developed the electron-phonon matrix element in single-wall carbon nanotubes by using the extended tight-binding model based on density functional theory. We calculate this …
Z Fan, Y Xiao, Y Wang, P Ying, S Chen… - Journal of Physics …, 2024 - iopscience.iop.org
We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned …
The electronic structure of rare earths is an important topic (covered in chapter 8), and the 4felectron configuration determines their properties, including magnetic and optical …
BF Habenicht, H Kamisaka, K Yamashita… - Nano Letters, 2007 - ACS Publications
Phonon-induced dephasing of electronic transitions in semiconducting single-wall carbon nanotubes (CNT) is investigated by ab initio molecular dynamics. Pure-dephasing is shown …
We calculate the resistance and mean free path in long metallic and semiconducting silicon nanowires (SiNW's) using two different numerical approaches: a real-space Kubo method …
We present the results of analytical study and molecular dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New …