Ab initio simulations on Frenkel pairs of radiation defects in corundum
Author:
Publisher
IOP Publishing
Subject
General Medicine
Link
http://stacks.iop.org/1757-899X/77/i=1/a=012001/pdf
Reference21 articles.
1. Modeling of Point Defects in Corundum Crystals
2. Electric field gradients and charge density in corundum, α-Al2O3
3. Semi-empirical supercell calculations for free- and bound-hole polarons in crystal
4. Computer Modelling of Radiation Damage in Cation Sublattice of Corundum
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1. First-principles study of dehydration interfaces between diaspore and corundum, gibbsite and boehmite, and boehmite and γ-Al2O3: Energetic stability, interface charge effects, and dehydration defects;Applied Surface Science;2021-03
2. Ab initio molecular dynamics simulation of low energy radiation responses of α-Al2O3;Scientific Reports;2017-06-15
3. First-principles calculations of oxygen interstitials in corundum: a site symmetry approach;Physical Chemistry Chemical Physics;2017
4. Charged oxygen interstitials in corundum: first principles simulations;physica status solidi (c);2016-08-09
5. Ab initio simulations on migration paths of interstitial oxygen in corundum;Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms;2016-05
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