Related Experiment Video
Updated: Jul 5, 2025
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Highly parallelizable electronic transport calculations in periodic rhodium and copper nanostructures
Baruch Feldman1, Shifeng Zhu2, Scott Dunham1,2
1Department of Electrical and Computer Engineering, University of Washington, Seattle, WA 98195, United States of America.
None:
We extend the highly-parallelizable open-source electronic transport code TRANSEC (Feldmanet al2014Phys. Rev.B90035445;https://gitlab.com/computational-physics2/transec/) to perform real-space atomic-scale electronic transport calculations with periodic boundary conditions in the lateral dimensions. We demonstrate the use of TRANSEC in periodic Cu and Rh bulk structures and in large periodic Rh point contacts, in preparation to perform calculations of reflection probability across Rh grain boundaries.
