Electron and chemical reservoir corrections for point-defect formation energies

Freysoldt, Christoph; Lange, Björn; Neugebauer, Jörg; Yan, Qimin; Lyons, John L.; Janotti, Anderson; Van de Walle, Chris G.

doi:10.1103/physrevb.93.165206

Local TagsRelease HistoryDetailsSummary

Electron and chemical reservoir corrections for point-defect formation energies

Freysoldt, C., Lange, B., Neugebauer, J., Yan, Q., Lyons, J. L., Janotti, A., et al. (2016). Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B, 93(16): 165206. doi:10.1103/physrevb.93.165206.

Item is Released

show all hide all

Basic

show hide

Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-D807-0 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002E-2A2E-F

Genre: Journal Article

Files

show Files

Locators

show

Creators

show

hide

Creators:
Freysoldt, Christoph¹, Author
Lange, Björn¹, Author
Neugebauer, Jörg², Author
Yan, Qimin³, Author
Lyons, John L.⁴, Author
Janotti, Anderson⁵, Author
Van de Walle, Chris G.⁶, Author

Affiliations:
1Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863342
2Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337
3Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, ou_persistent22
4Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, USA, ou_persistent22
5Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716-3106, USA, ou_persistent22
6Materials Department, University of California, Santa Barbara, CA 93106-5050, USA, ou_persistent22

Content

show

Details

show

hide

Language(s): eng - English

Dates: Submitted: 2016-01-19Published Online: 2016-04-14Date issued: 2016-04-22

Publication Status: Issued

Pages: -

Publishing info: -

Table of Contents: -

Rev. Type: Peer

Identifiers: DOI: 10.1103/physrevb.93.165206

Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show

hide

Title: Physical Review B

Abbreviation : Phys. Rev. B

Source Genre: Journal

Creator(s):

Affiliations:

Publ. Info: Woodbury, NY : American Physical Society

Pages: - Volume / Issue: 93 (16) Sequence Number: 165206 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008