Design of new Mott multiferroics via complete charge transfer: promising candidates for bulk photovoltaics
Abstract
Optimal materials to induce bulk photovoltaic effects should lack inversion symmetry and have an optical gap matching the energies of visible radiation. Ferroelectric perovskite oxides such as BaTiO3 and PbTiO3 exhibit substantial polarization and stability, but have the disadvantage of excessively large band gaps. We use both density functional theory and dynamical mean field theory calculations to design a new class of Mott multiferroics–double perovskite oxides A 2VFeO6 (A = Ba, Pb, etc). While neither perovskite AVO3 nor AFeO3 is ferroelectric, in the double perovskite A 2VFeO6 a ‘complete’ charge transfer from V to Fe leads to a non-bulk-like charge configuration–an empty V-d shell and a half-filled Fe-d shell, giving rise to a polarization comparable to that of ferroelectric ATiO3. Different from nonmagnetic ATiO3, the new double perovskite oxides have an antiferromagnetic ground state and around room temperatures, are paramagnetic Mott insulators. Most importantly, the V d 0 state significantly reduces the band gap of A 2VFeO6, making it smaller than that of ATiO3 and BiFeO3 and rendering the new multiferroics a promising candidate to induce bulk photovoltaic effects.
- Authors:
-
- New York Univ. (NYU), Shanghai (China). NYU-ECNU Inst. of Physics; New York Univ. (NYU), NY (United States). Dept. of Physics
- Columbia Univ., New York, NY (United States). Dept. of Physics
- Publication Date:
- Research Org.:
- New York Univ. (NYU), NY (United States); Columbia Univ., New York, NY (United States)
- Sponsoring Org.:
- USDOE; National Science Foundation (NSF)
- OSTI Identifier:
- 1490410
- Grant/Contract Number:
- DMR-1120296; DMR-1308236
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 7; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; atomistic models; ferroelectrics and multiferroics; solar cells
Citation Formats
Chen, Hanghui, and Millis, Andrew. Design of new Mott multiferroics via complete charge transfer: promising candidates for bulk photovoltaics. United States: N. p., 2017.
Web. doi:10.1038/s41598-017-06396-5.
Chen, Hanghui, & Millis, Andrew. Design of new Mott multiferroics via complete charge transfer: promising candidates for bulk photovoltaics. United States. https://doi.org/10.1038/s41598-017-06396-5
Chen, Hanghui, and Millis, Andrew. Fri .
"Design of new Mott multiferroics via complete charge transfer: promising candidates for bulk photovoltaics". United States. https://doi.org/10.1038/s41598-017-06396-5. https://www.osti.gov/servlets/purl/1490410.
@article{osti_1490410,
title = {Design of new Mott multiferroics via complete charge transfer: promising candidates for bulk photovoltaics},
author = {Chen, Hanghui and Millis, Andrew},
abstractNote = {Optimal materials to induce bulk photovoltaic effects should lack inversion symmetry and have an optical gap matching the energies of visible radiation. Ferroelectric perovskite oxides such as BaTiO3 and PbTiO3 exhibit substantial polarization and stability, but have the disadvantage of excessively large band gaps. We use both density functional theory and dynamical mean field theory calculations to design a new class of Mott multiferroics–double perovskite oxides A 2VFeO6 (A = Ba, Pb, etc). While neither perovskite AVO3 nor AFeO3 is ferroelectric, in the double perovskite A 2VFeO6 a ‘complete’ charge transfer from V to Fe leads to a non-bulk-like charge configuration–an empty V-d shell and a half-filled Fe-d shell, giving rise to a polarization comparable to that of ferroelectric ATiO3. Different from nonmagnetic ATiO3, the new double perovskite oxides have an antiferromagnetic ground state and around room temperatures, are paramagnetic Mott insulators. Most importantly, the V d 0 state significantly reduces the band gap of A 2VFeO6, making it smaller than that of ATiO3 and BiFeO3 and rendering the new multiferroics a promising candidate to induce bulk photovoltaic effects.},
doi = {10.1038/s41598-017-06396-5},
journal = {Scientific Reports},
number = ,
volume = 7,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Optical band gap of BiFeO3 grown by molecular-beam epitaxy
journal, April 2008
- Ihlefeld, J. F.; Podraza, N. J.; Liu, Z. K.
- Applied Physics Letters, Vol. 92, Issue 14
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Maximally localized Wannier functions: Theory and applications
journal, October 2012
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- Reviews of Modern Physics, Vol. 84, Issue 4
Investigations of the electronic structure of d0 transition metal oxides belonging to the perovskite family
journal, October 2003
- Eng, Hank W.; Barnes, Paris W.; Auer, Benjamin M.
- Journal of Solid State Chemistry, Vol. 175, Issue 1
Bandgap tuning of multiferroic oxide solar cells
journal, November 2014
- Nechache, R.; Harnagea, C.; Li, S.
- Nature Photonics, Vol. 9, Issue 1
A-site cation ordering in AA′BB′O6 perovskites
journal, April 2006
- Knapp, Meghan C.; Woodward, Patrick M.
- Journal of Solid State Chemistry, Vol. 179, Issue 4
Magnetic properties of highly resistive BaFeO3 thin films epitaxially grown on SrTiO3 single-crystal substrates
journal, May 2003
- Matsui, T.; Taketani, E.; Fujimura, N.
- Journal of Applied Physics, Vol. 93, Issue 10
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Synthesis, Structure, and Properties of New Perovskite PbVO3
journal, August 2004
- Shpanchenko, Roman V.; Chernaya, Viktoria V.; Tsirlin, Alexander A.
- Chemistry of Materials, Vol. 16, Issue 17, p. 3267-3273
Wide bandgap tunability in complex transition metal oxides by site-specific substitution
journal, January 2012
- Choi, Woo Seok; Chisholm, Matthew F.; Singh, David J.
- Nature Communications, Vol. 3, Issue 1
Continuous-time Monte Carlo methods for quantum impurity models
journal, May 2011
- Gull, Emanuel; Millis, Andrew J.; Lichtenstein, Alexander I.
- Reviews of Modern Physics, Vol. 83, Issue 2
Crystallographic Features and Tetragonal Phase Stability of PbVO 3 , a New Member of PbTiO 3 Family
journal, January 2005
- Belik, Alexei A.; Azuma, Masaki; Saito, Takashi
- Chemistry of Materials, Vol. 17, Issue 2
Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure
journal, January 2016
- Cao, Yanwei; Liu, Xiaoran; Kareev, M.
- Nature Communications, Vol. 7, Issue 1
Non- Mn-driven ferroelectricity in antiferromagnetic
journal, May 2009
- Rondinelli, James M.; Eidelson, Aaron S.; Spaldin, Nicola A.
- Physical Review B, Vol. 79, Issue 20
Magnetically Frustrated Double Perovskites: Synthesis, Structural Properties, and Magnetic Order of Sr 2 B OsO 6 ( B = Y, In, Sc) : Magnetically Frustrated Double Perovskites Sr
journal, February 2015
- Paul, Avijit Kumar; Sarapulova, Angelina; Adler, Peter
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 641, Issue 2
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995
- Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J.
- Physical Review B, Vol. 52, Issue 8
Exotic phases induced by strong spin-orbit coupling in ordered double perovskites
journal, November 2010
- Chen, Gang; Pereira, Rodrigo; Balents, Leon
- Physical Review B, Vol. 82, Issue 17
Magnetic properties of the geometrically frustrated double perovskites and
journal, October 2009
- Aharen, Tomoko; Greedan, John E.; Ning, Fanlong
- Physical Review B, Vol. 80, Issue 13
Local structure and macroscopic properties in and solid solutions
journal, December 2004
- Grinberg, Ilya; Rappe, Andrew M.
- Physical Review B, Vol. 70, Issue 22
Covalency and the metal-insulator transition in titanate and vanadate perovskites
journal, April 2014
- Dang, Hung T.; Millis, Andrew J.; Marianetti, Chris A.
- Physical Review B, Vol. 89, Issue 16
Antisite defects at oxide interfaces
journal, March 2016
- Chen, Hanghui; Millis, Andrew
- Physical Review B, Vol. 93, Issue 10
Ferromagnetism in pseudocubic BaFeO[sub 3] epitaxial films
journal, January 2008
- Callender, C.; Norton, D. P.; Das, R.
- Applied Physics Letters, Vol. 92, Issue 1
Electronic structure calculations with dynamical mean-field theory
journal, August 2006
- Kotliar, G.; Savrasov, S. Y.; Haule, K.
- Reviews of Modern Physics, Vol. 78, Issue 3
New Highly Polar Semiconductor Ferroelectrics through d 8 Cation-O Vacancy Substitution into PbTiO 3 : A Theoretical Study
journal, December 2008
- Bennett, Joseph W.; Grinberg, Ilya; Rappe, Andrew M.
- Journal of the American Chemical Society, Vol. 130, Issue 51
Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO 3
journal, February 2009
- Choi, T.; Lee, S.; Choi, Y. J.
- Science, Vol. 324, Issue 5923
High-Efficiency Ferroelectric-Film Solar Cells with an n-type Cu 2 O Cathode Buffer Layer
journal, May 2012
- Cao, Dawei; Wang, Chunyan; Zheng, Fengang
- Nano Letters, Vol. 12, Issue 6
BaFeO 3 cubic single crystalline thin film: A ferromagnetic insulator
journal, September 2013
- Chakraverty, S.; Matsuda, T.; Ogawa, N.
- Applied Physics Letters, Vol. 103, Issue 14
Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces
journal, January 2016
- Grisolia, M. N.; Varignon, J.; Sanchez-Santolino, G.
- Nature Physics, Vol. 12, Issue 5
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
journal, April 2008
- Bilc, D. I.; Orlando, R.; Shaltaf, R.
- Physical Review B, Vol. 77, Issue 16
A2B′B″O6 perovskites: A review
journal, May 2015
- Vasala, Sami; Karppinen, Maarit
- Progress in Solid State Chemistry, Vol. 43, Issue 1-2
Electronic Reconstruction at the Isopolar Interface: An X-Ray Photoemission and Density-Functional Theory Study
journal, December 2014
- Kleibeuker, J. E.; Zhong, Z.; Nishikawa, H.
- Physical Review Letters, Vol. 113, Issue 23
Continuous-Time Solver for Quantum Impurity Models
journal, August 2006
- Werner, Philipp; Comanac, Armin; de’ Medici, Luca
- Physical Review Letters, Vol. 97, Issue 7
Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965
- Kohn, W.; Sham, L. J.
- Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
Design of a Mott Multiferroic from a Nonmagnetic Polar Metal
journal, August 2015
- Puggioni, Danilo; Giovannetti, Gianluca; Capone, Massimo
- Physical Review Letters, Vol. 115, Issue 8
Interfacial enhancement of ferroelectricity in CaTi /BaTi superlattices
journal, January 2011
- Wu, Xifan; Rabe, Karin M.; Vanderbilt, David
- Physical Review B, Vol. 83, Issue 2
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations
journal, July 2008
- Mosey, Nicholas J.; Liao, Peilin; Carter, Emily A.
- The Journal of Chemical Physics, Vol. 129, Issue 1
Engineering Correlation Effects via Artificially Designed Oxide Superlattices
journal, September 2013
- Chen, Hanghui; Millis, Andrew J.; Marianetti, Chris A.
- Physical Review Letters, Vol. 111, Issue 11
Magnetic order and electronic structure of the double perovskite
journal, March 2015
- Taylor, A. E.; Morrow, R.; Singh, D. J.
- Physical Review B, Vol. 91, Issue 10
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Local-density functional and on-site correlations: The electronic structure of and
journal, May 1994
- Czyżyk, M. T.; Sawatzky, G. A.
- Physical Review B, Vol. 49, Issue 20
Post density functional theoretical studies of highly polar semiconductive Pb(Ti Ni )O solid solutions: Effects of cation arrangement on band gap
journal, May 2011
- Gou, G. Y.; Bennett, J. W.; Takenaka, H.
- Physical Review B, Vol. 83, Issue 20
Computational design of low-band-gap double perovskites
journal, October 2012
- Berger, Robert F.; Neaton, Jeffrey B.
- Physical Review B, Vol. 86, Issue 16
First-principles study of spontaneous polarization in multiferroic
journal, January 2005
- Neaton, J. B.; Ederer, C.; Waghmare, U. V.
- Physical Review B, Vol. 71, Issue 1
Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of
journal, September 2011
- Berger, Robert F.; Fennie, Craig J.; Neaton, Jeffrey B.
- Physical Review Letters, Vol. 107, Issue 14
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
Np nuclear relaxation rate in heavy fermion superconductor NpPd Al
journal, September 2011
- Chudo, H.; Tokunaga, Y.; Kambe, S.
- Physical Review B, Vol. 84, Issue 9
Crystal structure of double oxides of the perovskite type
journal, March 1946
- Megaw, Helen D.
- Proceedings of the Physical Society, Vol. 58, Issue 2
Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS
journal, May 2006
- Lufaso, Michael W.; Barnes, Paris W.; Woodward, Patrick M.
- Acta Crystallographica Section B Structural Science, Vol. 62, Issue 3
BaFeO3: A Ferromagnetic Iron Oxide
journal, November 2011
- Hayashi, Naoaki; Yamamoto, Takafumi; Kageyama, Hiroshi
- Angewandte Chemie International Edition, Vol. 50, Issue 52
Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013
- Grinberg, Ilya; West, D. Vincent; Torres, Maria
- Nature, Vol. 503, Issue 7477, p. 509-512
New class of planar ferroelectric Mott insulators via first-principles design
journal, December 2015
- Kim, Chanul; Park, Hyowon; Marianetti, Chris A.
- Physical Review B, Vol. 92, Issue 23
Structural, dielectric, and magnetic properties of epitaxially grown BaFeO3 thin films on (100) SrTiO3 single-crystal substrates
journal, October 2002
- Matsui, T.; Tanaka, H.; Fujimura, N.
- Applied Physics Letters, Vol. 81, Issue 15
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
journal, October 1992
- Payne, M. C.; Teter, M. P.; Allan, D. C.
- Reviews of Modern Physics, Vol. 64, Issue 4
SrTi : An intrinsic quantum paraelectric below 4 K
journal, April 1979
- Müller, K. A.; Burkard, H.
- Physical Review B, Vol. 19, Issue 7
Above-bandgap voltages from ferroelectric photovoltaic devices
journal, January 2010
- Yang, S. Y.; Seidel, J.; Byrnes, S. J.
- Nature Nanotechnology, Vol. 5, Issue 2
‘Ferroelectric’ metals reexamined: fundamental mechanisms and design considerations for new materials
journal, January 2016
- Benedek, Nicole A.; Birol, Turan
- Journal of Materials Chemistry C, Vol. 4, Issue 18
Tip-enhanced photovoltaic effects in bismuth ferrite
journal, March 2011
- Alexe, Marin; Hesse, Dietrich
- Nature Communications, Vol. 2, Issue 1
Ab initio statistical mechanics of the ferroelectric phase transition in
journal, March 1997
- Waghmare, U. V.; Rabe, K. M.
- Physical Review B, Vol. 55, Issue 10
High-pressure synthesis of BaVO3: A new cubic perovskite
journal, June 2014
- Nishimura, Kousuke; Yamada, Ikuya; Oka, Kengo
- Journal of Physics and Chemistry of Solids, Vol. 75, Issue 6
Magnetic Ground-State of Perovskite PbVO 3 with Large Tetragonal Distortion
journal, August 2008
- Oka, Kengo; Yamada, Ikuya; Azuma, Masaki
- Inorganic Chemistry, Vol. 47, Issue 16
BaFeO3: A Ferromagnetic Iron Oxide
journal, November 2011
- Hayashi, Naoaki; Yamamoto, Takafumi; Kageyama, Hiroshi
- Angewandte Chemie International Edition, Vol. 50, Issue 52
Magnetically Frustrated Double Perovskites: Synthesis, Structural Properties, and Magnetic Order of Sr 2 B OsO 6 ( B = Y, In, Sc) : Magnetically Frustrated Double Perovskites Sr
journal, February 2015
- Paul, Avijit Kumar; Sarapulova, Angelina; Adler, Peter
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 641, Issue 2
High-pressure synthesis of BaVO3: A new cubic perovskite
journal, June 2014
- Nishimura, Kousuke; Yamada, Ikuya; Oka, Kengo
- Journal of Physics and Chemistry of Solids, Vol. 75, Issue 6
A-site cation ordering in AA′BB′O6 perovskites
journal, April 2006
- Knapp, Meghan C.; Woodward, Patrick M.
- Journal of Solid State Chemistry, Vol. 179, Issue 4
A2B′B″O6 perovskites: A review
journal, May 2015
- Vasala, Sami; Karppinen, Maarit
- Progress in Solid State Chemistry, Vol. 43, Issue 1-2
Crystallographic Features and Tetragonal Phase Stability of PbVO 3 , a New Member of PbTiO 3 Family
journal, January 2005
- Belik, Alexei A.; Azuma, Masaki; Saito, Takashi
- Chemistry of Materials, Vol. 17, Issue 2
Synthesis, Structure, and Properties of New Perovskite PbVO3
journal, August 2004
- Shpanchenko, Roman V.; Chernaya, Viktoria V.; Tsirlin, Alexander A.
- Chemistry of Materials, Vol. 16, Issue 17, p. 3267-3273
Magnetic Ground-State of Perovskite PbVO 3 with Large Tetragonal Distortion
journal, August 2008
- Oka, Kengo; Yamada, Ikuya; Azuma, Masaki
- Inorganic Chemistry, Vol. 47, Issue 16
New Highly Polar Semiconductor Ferroelectrics through d 8 Cation-O Vacancy Substitution into PbTiO 3 : A Theoretical Study
journal, December 2008
- Bennett, Joseph W.; Grinberg, Ilya; Rappe, Andrew M.
- Journal of the American Chemical Society, Vol. 130, Issue 51
High-Efficiency Ferroelectric-Film Solar Cells with an n-type Cu 2 O Cathode Buffer Layer
journal, May 2012
- Cao, Dawei; Wang, Chunyan; Zheng, Fengang
- Nano Letters, Vol. 12, Issue 6
Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013
- Grinberg, Ilya; West, D. Vincent; Torres, Maria
- Nature, Vol. 503, Issue 7477, p. 509-512
Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure
journal, January 2016
- Cao, Yanwei; Liu, Xiaoran; Kareev, M.
- Nature Communications, Vol. 7, Issue 1
Tip-enhanced photovoltaic effects in bismuth ferrite
journal, March 2011
- Alexe, Marin; Hesse, Dietrich
- Nature Communications, Vol. 2, Issue 1
Above-bandgap voltages from ferroelectric photovoltaic devices
journal, January 2010
- Yang, S. Y.; Seidel, J.; Byrnes, S. J.
- Nature Nanotechnology, Vol. 5, Issue 2
Structural, dielectric, and magnetic properties of epitaxially grown BaFeO3 thin films on (100) SrTiO3 single-crystal substrates
journal, October 2002
- Matsui, T.; Tanaka, H.; Fujimura, N.
- Applied Physics Letters, Vol. 81, Issue 15
Crystal structure of double oxides of the perovskite type
journal, May 1946
- Megaw, Helen D.
- Proceedings of the Physical Society, Vol. 58, Issue 3
Classifying multiferroics: Mechanisms and effects
journal, March 2009
- Khomskii, Daniel
- Physics, Vol. 2
Atomic Displacement Relationship to Curie Temperature and Spontaneous Polarization in Displacive Ferroelectrics
journal, August 1968
- Abrahams, S. C.; Kurtz, S. K.; Jamieson, P. B.
- Physical Review, Vol. 172, Issue 2
Maximum-entropy method for analytic continuation of quantum Monte Carlo data
journal, February 1990
- Silver, R. N.; Sivia, D. S.; Gubernatis, J. E.
- Physical Review B, Vol. 41, Issue 4
Band-gap engineering via local environment in complex oxides
journal, June 2011
- Qi, Tingting; Grinberg, Ilya; Rappe, Andrew M.
- Physical Review B, Vol. 83, Issue 22
Spin-density functional theories and their and extensions: A comparative study of transition metals and transition metal oxides
journal, January 2016
- Chen, Hanghui; Millis, Andrew J.
- Physical Review B, Vol. 93, Issue 4
Comparative study of exchange-correlation functionals for accurate predictions of structural and magnetic properties of multiferroic oxides
journal, May 2016
- Chen, Hanghui; Millis, Andrew J.
- Physical Review B, Vol. 93, Issue 20
Modifying the Electronic Orbitals of Nickelate Heterostructures via Structural Distortions
journal, May 2013
- Chen, Hanghui; Kumah, Divine P.; Disa, Ankit S.
- Physical Review Letters, Vol. 110, Issue 18
Orbital Engineering in Symmetry-Breaking Polar Heterostructures
journal, January 2015
- Disa, Ankit S.; Kumah, Divine P.; Malashevich, Andrei
- Physical Review Letters, Vol. 114, Issue 2
Soft Phonon Modes and the 110°K Phase Transition in SrTi
journal, July 1968
- Fleury, P. A.; Scott, J. F.; Worlock, J. M.
- Physical Review Letters, Vol. 21, Issue 1
Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic Perovskites
journal, April 2004
- Pavarini, E.; Biermann, S.; Poteryaev, A.
- Physical Review Letters, Vol. 92, Issue 17
Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO 3
journal, February 2009
- Choi, T.; Lee, S.; Choi, Y. J.
- Science, Vol. 324, Issue 5923
Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO$_{3}$
text, January 2011
- Berger, Robert F.; Fennie, Craig J.; Neaton, Jeffrey B.
- arXiv
Engineering Correlation Effects via Artificially Designed Oxide Superlattices
text, January 2013
- Chen, Hanghui; Marianetti, Chris A.; Millis, Andrew J.
- arXiv
Works referencing / citing this record:
Pressure-induced enhancement of non-polar to polar transition temperature in metallic LiOsO 3
journal, July 2018
- Paredes Aulestia, Esteban I.; Cheung, Yiu Wing; Fang, Yue-Wen
- Applied Physics Letters, Vol. 113, Issue 1
Density functional study of structural, electronic and magnetic properties of new half-metallic ferromagnetic double perovskite Sr 2 MnVO 6
journal, August 2019
- Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza
- Journal of Physics: Condensed Matter, Vol. 31, Issue 47
Towards photoferroic materials by design: recent progress and perspectives
journal, November 2019
- Castelli, Ivano E.; Olsen, Thomas; Chen, Yunzhong
- Journal of Physics: Energy, Vol. 2, Issue 1
Magnetic and electronic properties of the ferroelectric-photovoltaic ordered double perovskite investigated by x-ray absorption spectroscopies
journal, June 2018
- Herrero-Martín, Javier; Ruiz-Fuertes, Javier; Bernert, Thomas
- Physical Review B, Vol. 97, Issue 23
Pressure-induced enhancement of non-polar to polar transition temperature in metallic LiOsO3
text, January 2018
- Aulesti, Esteban I. Paredes; Cheung, Yiu Wing; Fang, Yue-Wen
- Unpublished
Towards Photoferroic Materials by Design: Recent Progresses and Perspective
text, January 2019
- Castelli, Ivano E.; Olsen, Thomas; Chen, Yunzhong
- arXiv
Figures / Tables found in this record: