5 papers · 1 filter
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…
From Mono- to Hexa-Interstitials: Computational Insights into Carbon Defects in Diamond
Nima Ghafari Cherati, Arsalan Hashemi, Ãdám 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…
Robust phonon engineering and symmetry-selective lattice dynamics in CrSBrCl
Satyam Sahu, Arsalan Hashemi, Mahdi Ghorbani-Asl +9
Atomic substitution provides a controlled route to engineer lattice dynamics in low-symmetry two-dimensional materials. Here, by combining polarization-resolved Raman spectroscopy…
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…
Boron Isotope Effects on Raman Scattering in Bulk BN, BP, and BAs: A Density-Functional Theory Study
Nima Ghafari Cherati, I. Abdolhosseini Sarsari, Arsalan Hashemi +1
For many materials, Raman spectra are intricately structured and provide valuable information about compositional stoichiometry and crystal quality. Here we use density-functional…