3 citations · 3 across the 3 of their papers we have counts for
5 papers
Placement-driven reversal of preferred spin alignment in monolayer hBN vacancy pairs
Daniel Hashemi
The negatively charged boron vacancy is an optically addressable spin centre in hexagonal boron nitride (hBN), but bringing two vacancies together introduces electronic interaction…
A molecular dynamics simulation study of thermal conductivity of plumbene
Rafat Mohammadi, Behrad Karimi, John Kieffer +1
We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Web…
Substrate-Controlled Magnetism: Fe nanowires on vicinal Cu surfaces
Daniel Hashemi, Michael Waters, Valeriy S. Stepanyuk +2
Here we present a novel approach to control magnetic interactions in atomic-scale nanowires. Our ab initio calculations demonstrate the possibility to tune magnetic properties of F…
Effect of Long-Range Dielectric Screening on Charge Transfer States
Michael J. Waters, Daniel Hashemi, John Kieffer
Exciton dissociation at heterojunctions in photovoltaic devices is not completely understood despite being fundamentally necessary to generate electrical current. One of the fundam…
Semiclassical Model for Calculating Exciton and Polaron Pair Energetics at Interfaces
Michael J. Waters, Daniel Hashemi, John Kieffer
Exciton and polaron pair dissociation is a key functional aspect of photovoltaic devices. To improve upon the current state of interfacial transport models, we augment the existing…