6 papers
Nuclearity of Copper Clusters on hBN/SiC Heterostructure Modulates Molecular Adsorption
Reza Khakpour, Arsalan Hashemi, Xiaoya Chang +3
Defect engineering can transform inert two-dimensional (2D) materials into chemically active and electronically tunable platforms by creating anchoring sites for metal atoms and cl…
Dislocation-loop formation is a first-order phase transition
Xiaoya Chang, Arsalan Hashemi, Nima Ghafari Cherati +3
Dislocation loops are the elementary product of radiation damage in crystals, limiting reactor-component lifetimes, power-electronics reliability and the coherence of solid-state q…
Machine-learning-driven kinetic discovery of carbon interstitial color centers in diamond
Xiaoya Chang, Arsalan Hashemi, Nima Ghafari Cherati +3
Diamond hosts optically active point defects central to quantum technologies, yet the carbon self-interstitials introduced during growth and irradiation compete with them and form…
From Mono- to Hexa-Interstitials: Computational Insights into Carbon Defects in Diamond
Nima Ghafari Cherati, Arsalan Hashemi, Ádám Gali
We present a comprehensive first-principles investigation of carbon self-interstitial defects in diamond, ranging from mono- to hexa-interstitial complexes. By quantum mechanical d…
Stabilisation of hBN/SiC Heterostructures with Vacancies and Transition-Metal Atoms
Arsalan Hashemi, Nima Ghafari Cherati, Sadegh Ghaderzadeh +3
When two-dimensional atomic layers of different materials are brought into close proximity to form van der Waals (vdW) heterostructures, interactions between adjacent layers signif…
AlB and AlB monolayers: emergence of multiple two-dimensional Dirac nodal line semimetals with novel properties
Saeid Abedi, Esmaeil Taghizadeh Sisakht, S. Javad Hashemifar +3
Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in developing nanoscale devices. Despite the pred…