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

Yun, Hwanhui
Gautreau, Dominique
Mkhoyan, K. Andre
Birol, Turan
2022-09-08T19:40:46Z

Persistent link to this item

https://doi.org/10.13020/x4rh-tv45
 https://hdl.handle.net/11299/241504
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Collection period

2021-07-01
2022-05-31

Date completed

2022-07-01

Date updated

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Volume Title

Title

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

Published Date

2022-09-08T19:40:46Z

Authors

Group

Theoretical Materials Physics Group

Author Contact

Yun, Hwanhui
yunxx133@umn.edu

Type

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.

Funding Information

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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Collections

Data Repository for U of M (DRUM)

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1_structures.zipStructure files of Sr2SnO410.69 KB
2_input_relaxation.zipVASP input files for structure relaxation of Sr2SnO4805 B
3_input_phonon.zipVASP and Phonopy input files for phonon calculation6.34 KB
Readme_Yun_2022_092622.txt4.02 KB

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