Data files of work on LaCoO3 using VASP

Paul, Arpita
Birol, Turan
2020-08-05
Thumbnail Image

Persistent link to this item

https://doi.org/10.13020/nq7t-z663
 https://hdl.handle.net/11299/214916
Statistics
View Statistics

Keywords

Collection period

2017-10-01
2019-09-15

Date completed

2020-01-05

Date updated

Time period coverage

Geographic coverage

Source information

Journal Title

Journal ISSN

Volume Title

Title

Data files of work on LaCoO3 using VASP

Published Date

2020-08-05

Authors

Group

Birol Research Group

Author Contact

Paul, Arpita
paula@umn.edu

Type

Dataset
3D Imaging Data
Simulation Data

Abstract

Sample VASP input file used to study LaCoO3 (INCAR) Band structures of LaCoO3 at each values of strain (used to determine carrier effective mass) Wannier functions derived from e_g orbitals of LaCoO3 (used to determine splitting between dx2-y2 and dz2 orbitals)

Description

INCAR file (VASP input file for LaCoO3) Band structures (agr format) Wannier functions (xsf format)

Referenced by

Chaturvedi, V., Walter, J., Paul, A., Grutter, A., Kirby, B., Jeong, J. S., ... & Mkhoyan, K. A. (2020). Strain-induced majority carrier inversion in ferromagnetic epitaxial LaCo O 3− δ thin films. Physical Review Materials, 4(3), 034403.
https://doi.org/10.1103/PhysRevMaterials.4.034403

Related to

Replaces

item.page.isreplacedby

License

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

Publisher

Collections

Data Repository for U of M (DRUM)
MRSEC Research Data

Funding information

UMN MRSEC under Award No. DMR-1420013

item.page.sponsorshipfunderid

item.page.sponsorshipfundingagency

item.page.sponsorshipgrant

Previously Published Citation

Other identifiers

Suggested citation

Paul, Arpita; Birol, Turan. (2020). Data files of work on LaCoO3 using VASP. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/nq7t-z663.

View/Download File

File View/Open
Description
Size
INCAR
VASP INCAR file
(379 B)

Band_-0.01.agr
Band structure (1 % compressive strain) of LaCoO3
(1.7 MB)

Band_-0.02.agr
Band structure (2 % compressive strain) of LaCoO3
(1.7 MB)

Band_-0.03.agr
Band structure (3 % compressive strain) of LaCoO3
(1.46 MB)

Band_-0.015.agr
Band structure (1.5 % compressive strain) of LaCoO3
(1.16 MB)

Band_0.0.agr
Band structure (0% strain) of LaCoO3
(1.46 MB)

Band_0.01.agr
Band structure (1% tensile strain) of LaCoO3
(1.7 MB)

Band_0.02.agr
Band structure (2% tensile strain) of LaCoO3
(1.7 MB)

Band_0.03.agr
Band structure (3% tensile strain)
(1.46 MB)

Band_0.025.agr
Band structure (2.5 % tensile strain) of LaCoO3
(1.16 MB)

wannier_dx2y2.xsf
dx2-y2 like wannier function centered on Co in LaCoO3
(59.54 MB)

wannier_dz2.xsf
dz2 like wannier function centered on Co in LaCoO3
(59.54 MB)

Zipped_data_files.zip
Zipped data files including Readme
(36.32 MB)

Readme.txt
Readme Description of the Dataset
(3.78 KB)

Content distributed via the University Digital Conservancy may be subject to additional license and use restrictions applied by the depositor. By using these files, users agree to the Terms of Use. Materials in the UDC may contain content that is disturbing and/or harmful. For more information, please see our statement on harmful content in digital repositories.