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Research data supporting 'Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches'

Repository URI

https://www.repository.cam.ac.uk/handle/1810/270277

Repository DOI

https://doi.org/10.17863/CAM.11017
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Files

opendata.tar.gz (22.46 MB)

Type

Dataset

Change log

Authors

Wynn, J 
Medeiros, PVC 
Vasylenko, A 
Sloan, JS 
Quigley, D 
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Description

These data relate to low-energy structures identified as part of an ab initio structure search for germanium telluride nanowires encapsulated inside carbon nanotubes.

Version

Software / Usage instructions

CASTEP (www.castep.org)

Keywords

AIRSS, DFT, Nanowires, Germanium Telluride

Publisher

Rights

Attribution 4.0 International (CC BY 4.0) Repository logo
Sponsorship
Engineering and Physical Sciences Research Council (EP/M011925/1)
EPSRC (1502790)
Relationships
Supplements:
https://doi.org/10.1103/PhysRevMaterials.1.073001

Collections

Research Data - Physics