458 citations · 1.3k across the 21 of their papers we have counts for
21 papers
Microscopic origin of polytype-dependent melting in SiC revealed by machine-learning molecular dynamics
Ljiljana Stojanović, Samuel J. Magorrian, Lara Kabalan +3
Predicting how crystal structure influences high-temperature stability remains a key challenge in materials modelling and design. Silicon carbide (SiC), one of the most thermally a…
Computational tuning of the elastic properties of low- and high-entropy ultra-high temperature ceramics
Samuel J. Magorrian, Ljiljana Stojanović, Lara Kabalan +4
Ultra-high temperature ceramics (UHTCs) represent a class of crystalline materials for extreme environments. They can withstand extremely high temperatures but are mechanically dif…
Electronic structure of the interface between Au and WSe2
Laxman Nagireddy, Samuel J. Magorrian, Matthew D. Watson +5
Understanding the interface between metals and two-dimensional materials is critical for their application in electronics and for the development of metal-mediated exfoliation of l…
Strong atomic reconstruction in twisted bilayers of highly flexible InSe: Machine-Learned Interatomic Potential and continuum model approaches
Samuel J. Magorrian, Anas Siddiqui, Nicholas D. M. Hine
The relaxation of atomic positions to their optimal structural arrangement is crucial for understanding the emergence of new physical behavior in long scale superstructures in twis…
Strain-dependent one-dimensional confinement channels in twisted bilayer 1T-WTe
Samuel J. Magorrian, Nicholas D. M. Hine
The low symmetry and anistropic lattice of 1T WTe is responsible for the existence of parallel one-dimensional channels in the moiré patterns of twisted bilayers. This gives…
Band alignment and interlayer hybridisation in transition metal dichalcogenide/hexagonal boron nitride heterostructures
S. J. Magorrian, A. J. Graham, N. Yeung +6
In van der Waals heterostructures, the relative alignment of bands between layers, and the resulting band hybridisation, are key factors in determining a range of electronic proper…