Andrew J. Morris

most citedStructures and finite-temperature abundances of defects in In

_{2}

_{3}

-II from first-principles calculations

2 citations · 2 across the 1 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2024

Structure prediction of stable sodium germanides at 0 and 10 GPa

James P. Darby, Angela F. Harper, Joseph R. Nelson +1

In this work we used $ab-initio$ random structure searching (AIRSS) to carry out a systematic search for crystalline Na-Ge materials at both 0 and 10 GPa. The high-through…

cond-mat.mtrl-sci2016★ 2 cited

Structures and finite-temperature abundances of defects in In $_{2}$ O $_{3}$ -II from first-principles calculations

Jamie M. Wynn, Richard J. Needs, Andrew J. Morris

We have studied intrinsic defect complexes in In $_{2}$ O $_{3}$ using ab initio random structure searching (AIRSS). Our first-principles density-functional-theory calculations predict th…

Structure prediction of stable sodium germanides at 0 and 10 GPa

Structures and finite-temperature abundances of defects in In2​O3​-II from first-principles calculations

Structures and finite-temperature abundances of defects in In $_{2}$ O $_{3}$ -II from first-principles calculations