Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1368433
- Grant/Contract Number:
- EE0007366; SC0012541; AC02-05CH11231; SC0010467
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Name: Physical Review Materials Journal Volume: 1 Journal Issue: 2; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Dalpian, Gustavo M., Liu, Qihang, Stoumpos, Constantinos C., Douvalis, Alexios P., Balasubramanian, Mahalingam, Kanatzidis, Mercouri G., and Zunger, Alex. Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues. United States: N. p., 2017.
Web. doi:10.1103/PhysRevMaterials.1.025401.
Dalpian, Gustavo M., Liu, Qihang, Stoumpos, Constantinos C., Douvalis, Alexios P., Balasubramanian, Mahalingam, Kanatzidis, Mercouri G., & Zunger, Alex. Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues. United States. https://doi.org/10.1103/PhysRevMaterials.1.025401
Dalpian, Gustavo M., Liu, Qihang, Stoumpos, Constantinos C., Douvalis, Alexios P., Balasubramanian, Mahalingam, Kanatzidis, Mercouri G., and Zunger, Alex. Wed .
"Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues". United States. https://doi.org/10.1103/PhysRevMaterials.1.025401.
@article{osti_1368433,
title = {Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues},
author = {Dalpian, Gustavo M. and Liu, Qihang and Stoumpos, Constantinos C. and Douvalis, Alexios P. and Balasubramanian, Mahalingam and Kanatzidis, Mercouri G. and Zunger, Alex},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.1.025401},
journal = {Physical Review Materials},
number = 2,
volume = 1,
place = {United States},
year = {Wed Jul 05 00:00:00 EDT 2017},
month = {Wed Jul 05 00:00:00 EDT 2017}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevMaterials.1.025401
https://doi.org/10.1103/PhysRevMaterials.1.025401
Other availability
Cited by: 40 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Intriguing Optoelectronic Properties of Metal Halide Perovskites
journal, June 2016
- Manser, Joseph S.; Christians, Jeffrey A.; Kamat, Prashant V.
- Chemical Reviews, Vol. 116, Issue 21
Charge self-regulation upon changing the oxidation state of transition metals in insulators
journal, June 2008
- Raebiger, Hannes; Lany, Stephan; Zunger, Alex
- Nature, Vol. 453, Issue 7196
Charge Disproportionation without Charge Transfer in the Rare-Earth-Element Nickelates as a Possible Mechanism for the Metal-Insulator Transition
journal, March 2014
- Johnston, Steve; Mukherjee, Anamitra; Elfimov, Ilya
- Physical Review Letters, Vol. 112, Issue 10
Mössbauer spectra of tin(IV) iodide complexes
journal, January 1999
- Tudela, David; Sánchez-Herencia, Antonio J.; Díaz, Marcos
- Journal of the Chemical Society, Dalton Transactions, Issue 22
Ligand-Hole in [SnI 6 ] Unit and Origin of Band Gap in Photovoltaic Perovskite Variant Cs 2 SnI 6
journal, September 2015
- Xiao, Zewen; Lei, Hechang; Zhang, Xiao
- Bulletin of the Chemical Society of Japan, Vol. 88, Issue 9
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in
journal, July 1998
- Wolverton, C.; Zunger, Alex
- Physical Review Letters, Vol. 81, Issue 3
Valence-band spectra of tin oxides interpreted by X α calculations
journal, May 1990
- Sherwood, P. M. A.
- Physical Review B, Vol. 41, Issue 14
The interpretation of the 119mSn Mössbauer data for some complexes of tin(II)
journal, March 1975
- Donaldson, J. D.; Puxley, D. C.; Tricker, M. J.
- Journal of Inorganic and Nuclear Chemistry, Vol. 37, Issue 3
Phase Transition and Electric Conductivity of ASnCl 3 (A = Cs and CH 3 NH 3 )
journal, January 1998
- Yamada, Koji; Kuranaga, Yasuhisa; Ueda, Keita
- Bulletin of the Chemical Society of Japan, Vol. 71, Issue 1
Computational materials design of attractive Fermion system with large negative effective Ueff in the hole-doped Delafossite of CuAlO2, AgAlO2 and AuAlO2: Charge-excitation induced Ueff < 0
journal, December 2015
- Nakanishi, A.; Fukushima, T.; Uede, H.
- Physica C: Superconductivity and its Applications, Vol. 519
Substitutional 3d impurities in silicon: A self-regulating system
journal, January 1983
- Zunger, Alex; Lindefelt, U.
- Solid State Communications, Vol. 45, Issue 4
Mössbauer, Far-Infrared, and XPS Investigations of SnCl 2 and SnCl 4 Introduced in Polyconjugated Monosubstituted Acetylene Matrices
journal, February 1995
- Alonzo, Giuseppe; Bertazzi, Nuccio; Ferraro, John R.
- Applied Spectroscopy, Vol. 49, Issue 2
Theory of the silicon vacancy: An Anderson negative- system
journal, June 1980
- Baraff, G. A.; Kane, E. O.; Schlüter, M.
- Physical Review B, Vol. 21, Issue 12
Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs 2 SnI 6
journal, March 2016
- Saparov, Bayrammurad; Sun, Jon-Paul; Meng, Weiwei
- Chemistry of Materials, Vol. 28, Issue 7
Computation of Mössbauer isomer shifts from first principles
journal, April 2009
- Zwanziger, J. W.
- Journal of Physics: Condensed Matter, Vol. 21, Issue 19
Exchange-Correlation-Induced Negative Effective
journal, October 1985
- Katayama-Yoshida, H.; Zunger, Alex
- Physical Review Letters, Vol. 55, Issue 15
Rigorous Definition of Oxidation States of Ions in Solids
journal, April 2012
- Jiang, Lai; Levchenko, Sergey V.; Rappe, Andrew M.
- Physical Review Letters, Vol. 108, Issue 16
The Mössbauer effect in tin( II ) compounds. Part XIII. Data for the products from molten caesium–tin( II )–halide systems
journal, January 1973
- Donaldson, J. D.; Silver, J.
- J. Chem. Soc., Dalton Trans., Issue 6
Simple model of multiple charge states of transition-metal impurities in semiconductors
journal, March 1976
- Haldane, F. D. M.; Anderson, P. W.
- Physical Review B, Vol. 13, Issue 6
Untersuchungen von nach verschiedenen Verfahren hergestellten Zinnjodiden mit Hilfe des M�ssbauer-Effektes
journal, December 1970
- Bontschev, Cv.; Christov, D.; Manuschev, B.
- Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 379, Issue 1
High resolution x‐ray absorption spectroscopy with absolute energy calibration for the determination of absorption edge energies
journal, March 1996
- Kraft, S.; Stümpel, J.; Becker, P.
- Review of Scientific Instruments, Vol. 67, Issue 3
Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs2SnI6 as a Hole Conductor
journal, October 2014
- Lee, Byunghong; Stoumpos, Constantinos C.; Zhou, Nanjia
- Journal of the American Chemical Society, Vol. 136, Issue 43, p. 15379-15385
Interpretation of the Moessbauer spectra of mixed-hexahalo complexes of tin(IV)
journal, April 1970
- Clausen, C. A.; Good, Mary L.
- Inorganic Chemistry, Vol. 9, Issue 4
CsSnI3 : Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions
journal, May 2012
- Chung, In; Song, Jung-Hwan; Im, Jino
- Journal of the American Chemical Society, Vol. 134, Issue 20, p. 8579-8587
The modern theory of valency
journal, January 1948
- Pauling, Linus
- Journal of the Chemical Society (Resumed)