Strain effect on the ground-state crystal structure of Sr2SnO4 Ruddlesden-Popper oxides

Yun, Hwanhui
Gautreau, Dominique
Mkhoyan, K. Andre
Birol, Turan
2022-09-08
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https://doi.org/10.13020/x4rh-tv45
 https://hdl.handle.net/11299/241504
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2021-07-01
2022-05-31

Date completed

2022-07-01

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Title

Strain effect on the ground-state crystal structure of Sr2SnO4 Ruddlesden-Popper oxides

Published Date

2022-09-08

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Theoretical Materials Physics Group

Author Contact

Yun, Hwanhui
yunxx133@umn.edu

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Dataset
Simulation Data

Abstract

Simulation data for a manuscript 'Strain effect on the ground-state structure of Sr2SnO4 Ruddlesden-Popper oxides'. Key data including structures and input files for structural relaxation and phonon calculation of various phases in Sr2SnO4 are included.

Description

Structure and input files for the first-principles calculations.

Referenced by

Phys. Rev. Mater. 6, 104608,
https://doi.org/10.1103/PhysRevMaterials.6.104608

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CC0 1.0 Universal
 http://creativecommons.org/publicdomain/zero/1.0/

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Data Repository for U of M (DRUM)

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Suggested citation

Yun, Hwanhui; Gautreau, Dominique; Mkhoyan, K. Andre; Birol, Turan. (2022). Strain effect on the ground-state crystal structure of Sr2SnO4 Ruddlesden-Popper oxides. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/x4rh-tv45.

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1_structures.zip
Structure files of Sr2SnO4
(10.69 KB)

2_input_relaxation.zip
VASP input files for structure relaxation of Sr2SnO4
(805 B)

3_input_phonon.zip
VASP and Phonopy input files for phonon calculation
(6.34 KB)

Readme_Yun_2022_092622.txt
(4.02 KB)

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