M. I. Heggie

Materials Science · Physical Sciences

40h-index6.2kcitations177works0.02yr avg
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Research Topics

Graphene research and applications(39), Graphite, nuclear technology, radiation studies(30), Semiconductor materials and devices(28), Diamond and Carbon-based Materials Research(27), GaN-based semiconductor devices and materials(24)

Publications177 total

Atomic structure of dislocations and kinks in silicon
2020
A theoretical interpretation of dislocation glide in silicon
2020
Ab Initio Calculations of Partial Basal Dislocations in Bilayer Graphene
APS March Meeting Abstracts·2019
Ab-Initio Simulation of Fission Product Diffusion in Graphite
APS·2019
Data related to the mesoscopic structure of iso-graphite for nuclear applications
Data in Brief·2018· 9 citedOpen Access
Mesoscopic structure features in synthetic graphite
Materials & Design·2018· 42 citedOpen Access
Core structure of dislocations in GaN revealed by transmission electron microscopy
2018· 2 cited
Interlayer vacancy defects in AA-stacked bilayer graphene: density functional theory predictions
Journal of Physics Condensed Matter·2017· 20 citedOpen Access
A ReaXFF carbon potential for radiation damage studies
Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms·2016· 33 citedOpen Access
Core properties and mobility of the basal screw dislocation in wurtzite GaN: a density functional theory study
Modelling and Simulation in Materials Science and Engineering·2016· 23 cited
The Stone–Wales transformation: from fullerenes to graphite, from radiation damage to heat capacity
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences·2016· 18 citedOpen Access
Molecular dynamics simulations of irradiation defects in graphite: Single crystal mechanical and thermal properties
Computational Materials Science·2015· 30 cited
Predicting experimentally stable allotropes: Instability of penta-graphene
Proceedings of the National Academy of Sciences·2015· 93 citedOpen Access
Threshold displacement energy and damage function in graphite from molecular dynamics
Carbon·2015· 56 citedOpen Access
On the validity of empirical potentials for simulating radiation damage in graphite: a benchmark
Journal of Physics Condensed Matter·2015· 26 citedOpen Access
Doping and Theory: general discussion
Faraday Discussions·2014· 4 cited
Synthesis in gas and liquid phase: general discussion
Faraday Discussions·2014· 2 citedOpen Access
Functionalisation, separation and solvation: general discussion
Faraday Discussions·2014Open Access
Interlayer vacancy diffusion and coalescence in graphite
Physical Review B·2014· 9 citedOpen Access
Nanometric Resolved Cathodoluminescence on Few-Layer h-BN Flakes
Microscopy and Microanalysis·2014
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Frequent Co-authors

R. Jones(21), P. R. Briddon(14), C. D. Latham(10), Chris Ewels(9), Thomas Frauenheim(9), Sven Öberg(8), J. Elsner(6), P. R. Briddon(5), A.A. El-Barbary(4), Peter Sitch(4), C. J. Fall(4), M. J. Rayson(4), Rob H. Telling(3), M. Haugk(3), G. Jungnickel(3), Irene Suarez‐Martinez(3), A. T. Blumenau(3), Alberto Zobelli(3), T. Trevethan(3), R. H. Telling(2)