Yanqing Su^1*, Shuozhi Xu², Irene Beyerlein³

1 Department of Mechanical Engineering, University of California, Santa Barbara, Santa Barbara, CA 93106-5070, USA

2 California NanoSystems Institute, University of California, Santa Barbara, Santa Barbara, CA 93106-6105, USA

3 Department of Mechanical Engineering and Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106, USA

* Corresponding authors emails: yanqingsu@ucsb.edu

DOI10.24435/materialscloud:2019.0041/v1 [version v1]

Publication date: Aug 13, 2019

How to cite this record

Yanqing Su, Shuozhi Xu, Irene Beyerlein, Generalized stacking fault energy surfaces for eight face-centered cubic transition metals, Materials Cloud Archive 2019.0041/v1 (2019), https://doi.org/10.24435/materialscloud:2019.0041/v1

Description

Density functional theory calculations were used to obtain the generalized stacking fault energy surfaces in eight FCC metals: Ag, Au, Cu, Ir, Ni, Pd, Pt, and Rh. Among them, ferromagnetism was considered only in Ni. Results based on non-magnetic Ni are denoted as Ni-NM.

Materials Cloud sections using this data

Files

File name	Size	Description
fcc_gamma_surface.zip MD5md5:75b064aea1ba37dc2fa56546e16b7328	484.9 KiB	For each metal, there are 65 and 101 gamma surface values along the <110> and <112> directions, respectively. The first and second columns are the displacements along the <110> and <112> directions, respectively, in units of their lattice periodicity length. The third column is the GSFE values, in units of mJ/m^2.

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External references

Keywords

Density functional theory Generalized stacking fault energies Face-centered cubic transition metals