Tunable band structures in digital oxides with layered crystal habits
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1406657
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Name: Physical Review B Journal Volume: 96 Journal Issue: 19; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Shin, Yongjin, and Rondinelli, James M. Tunable band structures in digital oxides with layered crystal habits. United States: N. p., 2017.
Web. doi:10.1103/PhysRevB.96.195108.
Shin, Yongjin, & Rondinelli, James M. Tunable band structures in digital oxides with layered crystal habits. United States. https://doi.org/10.1103/PhysRevB.96.195108
Shin, Yongjin, and Rondinelli, James M. Thu .
"Tunable band structures in digital oxides with layered crystal habits". United States. https://doi.org/10.1103/PhysRevB.96.195108.
@article{osti_1406657,
title = {Tunable band structures in digital oxides with layered crystal habits},
author = {Shin, Yongjin and Rondinelli, James M.},
abstractNote = {},
doi = {10.1103/PhysRevB.96.195108},
journal = {Physical Review B},
number = 19,
volume = 96,
place = {United States},
year = {2017},
month = {11}
}
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Works referenced in this record:
Cationic Disorder and Phase Segregation in Heterointerfaces Evidenced by Medium-Energy Ion Spectroscopy
journal, September 2009
- Kalabukhov, A. S.; Boikov, Yu. A.; Serenkov, I. T.
- Physical Review Letters, Vol. 103, Issue 14
Tuning between the metallic antiferromagnetic and ferromagnetic phases of near by digital synthesis
journal, October 2009
- Santos, Tiffany S.; May, Steven J.; Robertson, J. L.
- Physical Review B, Vol. 80, Issue 15
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Oxide superlattices with alternating and interfaces
journal, July 2009
- Bristowe, N. C.; Artacho, Emilio; Littlewood, P. B.
- Physical Review B, Vol. 80, Issue 4
Controlling Band Gap Energies in Cluster-Assembled Ionic Solids through Internal Electric Fields
journal, September 2010
- Chaki, Nirmalya K.; Mandal, Sukhendu; Reber, Arthur C.
- ACS Nano, Vol. 4, Issue 10
Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180° domain walls
journal, January 2006
- Wu, Xifan; Vanderbilt, David
- Physical Review B, Vol. 73, Issue 2
Nonhomogeneous charge distribution in layered high- superconductors
journal, June 1990
- Di Stasio, M.; Müller, K. A.; Pietronero, L.
- Physical Review Letters, Vol. 64, Issue 23
Interface structure of at elevated temperatures studied in situ by synchrotron x rays
journal, June 2007
- Vonk, V.; Huijben, M.; Driessen, K. J. I.
- Physical Review B, Vol. 75, Issue 23
Metallic and Insulating Oxide Interfaces Controlled by Electronic Correlations
journal, February 2011
- Jang, H. W.; Felker, D. A.; Bark, C. W.
- Science, Vol. 331, Issue 6019
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
Polarity of oxide surfaces and nanostructures
journal, December 2007
- Goniakowski, Jacek; Finocchi, Fabio; Noguera, Claudine
- Reports on Progress in Physics, Vol. 71, Issue 1
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Band Offsets in Lattice-Matched Heterojunctions: A Model and First-Principles Calculations for GaAs/AlAs
journal, August 1988
- Baldereschi, Alfonso; Baroni, Stefano; Resta, Raffaele
- Physical Review Letters, Vol. 61, Issue 6
Avoiding the Polarization Catastrophe in Overlayers on through Polar Distortion
journal, March 2009
- Pentcheva, Rossitza; Pickett, Warren E.
- Physical Review Letters, Vol. 102, Issue 10
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
Polar oxide surfaces
journal, July 2000
- Noguera, Claudine
- Journal of Physics: Condensed Matter, Vol. 12, Issue 31
New inorganic spinel oxides for use as negative electrode materials in future lithium-ion batteries
journal, September 1999
- Robertson, A. D.; Trevino, L.; Tukamoto, H.
- Journal of Power Sources, Vol. 81-82
Massive band gap variation in layered oxides through cation ordering
journal, January 2015
- Balachandran, Prasanna V.; Rondinelli, James M.
- Nature Communications, Vol. 6, Issue 1
Dielectric constants and crystal structures of CaYAlO4, CaNdAlO4, and SrLaAlO4, and deviations from the oxide additivity rule
journal, May 1992
- Shannon, R. D.; Oswald, R. A.; Parise, J. B.
- Journal of Solid State Chemistry, Vol. 98, Issue 1
Epitaxial Stabilization of Oxides in Thin Films
journal, October 2002
- Gorbenko, O. Yu.; Samoilenkov, S. V.; Graboy, I. E.
- Chemistry of Materials, Vol. 14, Issue 10
Bulk Magnetic Order in a Two-Dimensional ( ) Nickelate, Isoelectronic with Superconducting Cuprates
journal, May 2010
- Poltavets, Viktor V.; Lokshin, Konstantin A.; Nevidomskyy, Andriy H.
- Physical Review Letters, Vol. 104, Issue 20
Effect of an Internal Electric Field on the Redox Energies of ALn TiO 4 ( A = Na or Li, Ln = Y or Rare-Earth)
journal, September 2013
- Song, Sang-Hoon; Ahn, Kyunghan; Kanatzidis, Mercouri G.
- Chemistry of Materials, Vol. 25, Issue 19
Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites
journal, April 2012
- Rondinelli, James M.; Fennie, Craig J.
- Advanced Materials, Vol. 24, Issue 15
Effect of oxygen vacancies in the substrate on the electrical properties of the interface
journal, March 2007
- Kalabukhov, Alexey; Gunnarsson, Robert; Börjesson, Johan
- Physical Review B, Vol. 75, Issue 12
: A Self-Doped Double Exchange Ferromagnet
journal, May 1998
- Korotin, M. A.; Anisimov, V. I.; Khomskii, D. I.
- Physical Review Letters, Vol. 80, Issue 19
Strong polarization enhancement in asymmetric three-component ferroelectric superlattices
journal, January 2005
- Lee, Ho Nyung; Christen, Hans M.; Chisholm, Matthew F.
- Nature, Vol. 433, Issue 7024
Improper ferroelectricity in perovskite oxide artificial superlattices
journal, April 2008
- Bousquet, Eric; Dawber, Matthew; Stucki, Nicolas
- Nature, Vol. 452, Issue 7188
High Mobility in Heterostructures: Origin, Dimensionality, and Perspectives
journal, May 2007
- Herranz, G.; Basletić, M.; Bibes, M.
- Physical Review Letters, Vol. 98, Issue 21, Article No. 216803
Influence of internal electric field on the transport properties of the magnetoplumbite system BaFe 12-x Mn x O 19
journal, January 1987
- Fontcuberta, J.; Obradors, X.; Goodenough, J. B.
- Journal of Physics C: Solid State Physics, Vol. 20, Issue 3
The origin of two-dimensional electron gases at oxide interfaces: insights from theory
journal, March 2014
- Bristowe, N. C.; Ghosez, Philippe; Littlewood, P. B.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 14
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Visualizing short-range charge transfer at the interfaces between ferromagnetic and superconducting oxides
journal, August 2013
- Chien, Te Yu; Kourkoutis, Lena F.; Chakhalian, Jak
- Nature Communications, Vol. 4, Issue 1
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
First principles phonon calculations in materials science
journal, November 2015
- Togo, Atsushi; Tanaka, Isao
- Scripta Materialia, Vol. 108
Polar Cation Ordering: A Route to Introducing >10% Bond Strain Into Layered Oxide Films
journal, September 2014
- Nelson-Cheeseman, Brittany B.; Zhou, Hua; Balachandran, Prasanna V.
- Advanced Functional Materials, Vol. 24, Issue 43
Electrostatic stability of insulating surfaces: Theory and applications
journal, November 2011
- Stengel, Massimiliano
- Physical Review B, Vol. 84, Issue 20
Structure-Property Relation of SrTiO3/LaAlO3 Interfaces
journal, May 2009
- Huijben, Mark; Brinkman, Alexander; Koster, Gertjan
- Advanced Materials, Vol. 21, Issue 17, p. 1665-1677
Lattice Relaxation in Oxide Heterostructures: Superlattices
journal, July 2006
- Okamoto, Satoshi; Millis, Andrew J.; Spaldin, Nicola A.
- Physical Review Letters, Vol. 97, Issue 5
Engineered materials for all-optical helicity-dependent magnetic switching
journal, February 2014
- Mangin, S.; Gottwald, M.; Lambert, C-H.
- Nature Materials, Vol. 13, Issue 3
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
Ab Initio Design of Perovskite Alloys with Predetermined Properties: The Case of
journal, August 2001
- Íñiguez, Jorge; Bellaiche, L.
- Physical Review Letters, Vol. 87, Issue 9
A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004
- Ohtomo, A.; Hwang, H. Y.
- Nature, Vol. 427, Issue 6973
Atomically engineered ferroic layers yield a room-temperature magnetoelectric multiferroic
journal, September 2016
- Mundy, Julia A.; Brooks, Charles M.; Holtz, Megan E.
- Nature, Vol. 537, Issue 7621
Why some interfaces cannot be sharp
journal, January 2006
- Nakagawa, Naoyuki; Hwang, Harold Y.; Muller, David A.
- Nature Materials, Vol. 5, Issue 3, p. 204-209
Cation-ordering effects in the single layered manganite La2/3Sr4/3MnO4
journal, February 2011
- Nelson-Cheeseman, B. B.; Shah, A. B.; Santos, T. S.
- Applied Physics Letters, Vol. 98, Issue 7
Build your own superlattice
journal, January 2005
- Rijnders, Guus; Blank, Dave H. A.
- Nature, Vol. 433, Issue 7024
A polarity-induced defect mechanism for conductivity and magnetism at polar–nonpolar oxide interfaces
journal, October 2014
- Yu, Liping; Zunger, Alex
- Nature Communications, Vol. 5, Issue 1
Polarity-induced oxygen vacancies at interfaces
journal, October 2010
- Zhong, Zhicheng; Xu, P. X.; Kelly, Paul J.
- Physical Review B, Vol. 82, Issue 16
Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994
- Blöchl, Peter E.; Jepsen, O.; Andersen, O. K.
- Physical Review B, Vol. 49, Issue 23
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures
journal, October 2008
- Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao
- Physical Review B, Vol. 78, Issue 13
The thermodynamic scale of inorganic crystalline metastability
journal, November 2016
- Sun, Wenhao; Dacek, Stephen T.; Ong, Shyue Ping
- Science Advances, Vol. 2, Issue 11
Deriving accurate work functions from thin-slab calculations
journal, January 1999
- Fall, C. J.; Binggeli, N.; Baldereschi, A.
- Journal of Physics: Condensed Matter, Vol. 11, Issue 13
Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper Family
journal, May 2014
- Akamatsu, Hirofumi; Fujita, Koji; Kuge, Toshihiro
- Physical Review Letters, Vol. 112, Issue 18
Anomalous properties in ferroelectrics induced by atomic ordering
journal, September 2001
- George, A. M.; Íñiguez, Jorge; Bellaiche, L.
- Nature, Vol. 413, Issue 6851
Screening mechanisms at polar oxide heterointerfaces
journal, June 2016
- Hong, Seungbum; Nakhmanson, Serge M.; Fong, Dillon D.
- Reports on Progress in Physics, Vol. 79, Issue 7