46 citations · 163 across the 13 of their papers we have counts for
13 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…
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…
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…
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…
Chlorine doping of MoSe2 flakes by ion implantation
Slawomir Prucnal, Arsalan Hashemi, Mahdi Ghorbani-Asl +10
The efficient integration of transition metal dichalcogenides (TMDs) into the current electronic device technology requires mastering the techniques of effective tuning of their op…
Strain induced coupling and quantum information processing with hexagonal boron nitride quantum emitters
F. T. Tabesh, Q. Hassanzada, M. Hadian +3
We propose an electromechanical scheme where the electronic degrees of freedom of boron vacancy color centers hosted by a hexagonal boron nitride nanoribbon are coupled for quantum…
Photoluminescence Lineshapes for Color Centers in Silicon Carbide from Density Functional Theory Calculations
Arsalan Hashemi, Christopher Linderalv, Arkady V. Krasheninnikov +3
Silicon carbide with optically and magnetically active point defects offers unique opportunities for quantum technology applications. Since interaction with these defects commonly…
Theoretical study of quantum emitters in two-dimensional silicon carbide monolayer
Q. Hassanzada, I. Abdolhosseini Sarsari, A. Hashemi +3
The features of some potential single-photon sources in two-dimensional silicon carbide monolayers is studied via ab-initio calculation and group theory analysis. A few point defec…
Local vibrational modes of Si vacancy spin qubits in SiC
Z. Shang, A. Hashemi, Y. Berencén +4
Silicon carbide is a very promising platform for quantum applications because of extraordinary spin and optical properties of point defects in this technologically-friendly materia…
Efficient method for calculating Raman spectra of solids with impurities and alloys and its application to two-dimensional transition metal dichalcogenides
Arsalan Hashemi, Arkady V. Krasheninnikov, Martti Puska +1
Raman spectroscopy is a widely used, powerful, and nondestructive tool for studying the vibrational properties of bulk and low-dimensional materials. Raman spectra can be simulated…