Lattice normal modes and electronic properties of the correlated metal LaNiO3
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1100876
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 84 Journal Issue: 14; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Gou, Gaoyang, Grinberg, Ilya, Rappe, Andrew M., and Rondinelli, James M. Lattice normal modes and electronic properties of the correlated metal LaNiO3. United States: N. p., 2011.
Web. doi:10.1103/PhysRevB.84.144101.
Gou, Gaoyang, Grinberg, Ilya, Rappe, Andrew M., & Rondinelli, James M. Lattice normal modes and electronic properties of the correlated metal LaNiO3. United States. https://doi.org/10.1103/PhysRevB.84.144101
Gou, Gaoyang, Grinberg, Ilya, Rappe, Andrew M., and Rondinelli, James M. Mon .
"Lattice normal modes and electronic properties of the correlated metal LaNiO3". United States. https://doi.org/10.1103/PhysRevB.84.144101.
@article{osti_1100876,
title = {Lattice normal modes and electronic properties of the correlated metal LaNiO3},
author = {Gou, Gaoyang and Grinberg, Ilya and Rappe, Andrew M. and Rondinelli, James M.},
abstractNote = {},
doi = {10.1103/PhysRevB.84.144101},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 14,
volume = 84,
place = {United States},
year = {Mon Oct 03 00:00:00 EDT 2011},
month = {Mon Oct 03 00:00:00 EDT 2011}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.84.144101
https://doi.org/10.1103/PhysRevB.84.144101
Other availability
Cited by: 108 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:
Order- implementation of exact exchange in extended insulating systems
journal, February 2009
- Wu, Xifan; Selloni, Annabella; Car, Roberto
- Physical Review B, Vol. 79, Issue 8
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
Electronic structure of possible nickelate analogs to the cuprates
journal, March 1999
- Anisimov, V. I.; Bukhvalov, D.; Rice, T. M.
- Physical Review B, Vol. 59, Issue 12
Phonon Raman scattering of perovskite LaNiO3 thin films
journal, July 2010
- Chaban, N.; Weber, M.; Pignard, S.
- Applied Physics Letters, Vol. 97, Issue 3
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Hybrid functionals based on a screened Coulomb potential
journal, May 2003
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 118, Issue 18
Electronic structure of perovskite-type transition metal oxides by approximation
journal, May 2009
- Nohara, Yoshiro; Yamamoto, Susumu; Fujiwara, Takeo
- Physical Review B, Vol. 79, Issue 19
Ferroelectricity in ultrathin perovskite films
journal, July 2005
- Sai, Na; Kolpak, Alexie M.; Rappe, Andrew M.
- Physical Review B, Vol. 72, Issue 2, Article No. 020101
Fermi surfaces, electron-hole asymmetry, and correlation kink in a three-dimensional Fermi liquid
journal, March 2009
- Eguchi, R.; Chainani, A.; Taguchi, M.
- Physical Review B, Vol. 79, Issue 11
Electronic properties of the metallic perovskite : Correlated behavior of 3 d electrons
journal, September 1992
- Sreedhar, K.; Honig, J. M.; Darwin, M.
- Physical Review B, Vol. 46, Issue 10
Screened hybrid density functionals applied to solids
journal, April 2006
- Paier, J.; Marsman, M.; Hummer, K.
- The Journal of Chemical Physics, Vol. 124, Issue 15
Structural, magnetic and electronic properties of perovskites (R = rare earth)
journal, February 1997
- Medarde, María Luisa
- Journal of Physics: Condensed Matter, Vol. 9, Issue 8
Short-circuit boundary conditions in ferroelectric thin films
journal, August 2006
- Kolpak, Alexie M.; Sai, Na; Rappe, Andrew M.
- Physical Review B, Vol. 74, Issue 5
Valence states and magnetic properties of LaNi 1-x Mn x O 3 (for 0⩽x⩽0.2 and x=0.5)
journal, May 1984
- Vasanthacharya, N. Y.; Ganguly, P.; Goodenough, J. B.
- Journal of Physics C: Solid State Physics, Vol. 17, Issue 15
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
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
Pressure dependence of the metal-insulator transition in the charge-transfer oxides R ( R =Pr,Nd, )
journal, May 1993
- Obradors, X.; Paulius, L. M.; Maple, M. B.
- Physical Review B, Vol. 47, Issue 18
Group-theoretical analysis of octahedral tilting in ferroelectric perovskites
journal, November 2002
- Stokes, Harold T.; Kisi, Erich H.; Hatch, Dorian M.
- Acta Crystallographica Section B Structural Science, Vol. 58, Issue 6
Quantifying octahedral rotations in strained perovskite oxide films
journal, July 2010
- May, S. J.; Kim, J. -W.; Rondinelli, J. M.
- Physical Review B, Vol. 82, Issue 1
Electric-Field Control of the Metal-Insulator Transition in Ultrathin NdNiO3 Films
journal, October 2010
- Scherwitzl, Raoul; Zubko, Pavlo; Lezama, I. Gutierrez
- Advanced Materials, Vol. 22, Issue 48
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
Extraordinary pressure dependence of the metal-to-insulator transition in the charge-transfer compounds NdNiO and PrNiO
journal, May 1993
- Canfield, P. C.; Thompson, J. D.; Cheong, S-W.
- Physical Review B, Vol. 47, Issue 18
Resisitivity, thermopower, and susceptibility of R ( R =La,Pr)
journal, July 1993
- Xu, X. Q.; Peng, J. L.; Li, Z. Y.
- Physical Review B, Vol. 48, Issue 2
Effect of LaNiO3 electrode on microstructural and ferroelectric properties of Bi3.25Eu0.75Ti3O12 thin films
journal, July 2007
- Kim, Kyoung-Tae; Kim, Chang-Il; Kim, Jong-Gyu
- Thin Solid Films, Vol. 515, Issue 20-21
Enhanced Susceptibility in Perovskites ( )
journal, January 2000
- Zhou, J. -S.; Goodenough, J. B.; Dabrowski, B.
- Physical Review Letters, Vol. 84, Issue 3
Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials
journal, December 2010
- Hansmann, P.; Toschi, A.; Yang, Xiaoping
- Physical Review B, Vol. 82, Issue 23
Density functional study of nanocapacitors with Pt and Au electrodes
journal, October 2010
- Al-Saidi, W. A.; Rappe, Andrew M.
- Physical Review B, Vol. 82, Issue 15
Comparative study of optical phonons in the rhombohedrally distorted perovskites and
journal, February 1999
- Abrashev, M. V.; Litvinchuk, A. P.; Iliev, M. N.
- Physical Review B, Vol. 59, Issue 6
First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997
- Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I.
- Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808
Ferroelectric Control of Spin Polarization
journal, January 2010
- Garcia, V.; Bibes, M.; Bocher, L.
- Science, Vol. 327, Issue 5969
Systematic study of insulator-metal transitions in perovskites RNiO3 (R=Pr,Nd,Sm,Eu) due to closing of charge-transfer gap
journal, April 1992
- Torrance, J.; Lacorre, P.; Nazzal, A.
- Physical Review B, Vol. 45, Issue 14
Nonlinear ionic pseudopotentials in spin-density-functional calculations
journal, August 1982
- Louie, Steven G.; Froyen, Sverre; Cohen, Marvin L.
- Physical Review B, Vol. 26, Issue 4
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 124, Issue 21
Reformulation of the method for a local-orbital basis
journal, July 1998
- Pickett, W. E.; Erwin, S. C.; Ethridge, E. C.
- Physical Review B, Vol. 58, Issue 3, p. 1201-1209
Complex vs Band Formation in Perovskite Oxides
journal, March 1965
- Goodenough, J. B.; Raccah, P. M.
- Journal of Applied Physics, Vol. 36, Issue 3
Hybrid density functional calculations of the band gap of
journal, September 2009
- Wu, Xifan; Walter, Eric J.; Rappe, Andrew M.
- Physical Review B, Vol. 80, Issue 11
Effect of conductive LaNiO3 electrode on the structural and ferroelectric properties of Bi3.25La0.75Ti3O12 films
journal, December 2006
- Jain, M.; Kang, B. S.; Jia, Q. X.
- Applied Physics Letters, Vol. 89, Issue 24
Linear response approach to the calculation of the effective interaction parameters in the method
journal, January 2005
- Cococcioni, Matteo; de Gironcoli, Stefano
- Physical Review B, Vol. 71, Issue 3
Density functional study of the insulating ground states in and compounds
journal, July 2005
- Saha-Dasgupta, T.; Popović, Z. S.; Satpathy, S.
- Physical Review B, Vol. 72, Issue 4
General Rules for Predicting Phase Transitions in Perovskites due to Octahedral Tilting
journal, July 2005
- Angel, R. J.; Zhao, J.; Ross, N. L.
- Physical Review Letters, Vol. 95, Issue 2
Low-dimensional Mott material: Transport in ultrathin epitaxial LaNiO3 films
journal, February 2010
- Son, Junwoo; Moetakef, Pouya; LeBeau, James M.
- Applied Physics Letters, Vol. 96, Issue 6
Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001
- Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
- Reviews of Modern Physics, Vol. 73, Issue 2
Enhancement of ferroelectricity at metal–oxide interfaces
journal, April 2009
- Stengel, Massimiliano; Vanderbilt, David; Spaldin, Nicola A.
- Nature Materials, Vol. 8, Issue 5
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
Metal-insulator transitions
journal, October 1998
- Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
- Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
The Landau Theory of Phase Transitions
book, August 1987
- Tolédano, J. C.; Tolédano, P.
- World Scientific Lecture Notes in Physics, Vol. 3
A study of ferroelectric thin films deposited on a LaNiO 3 barrier electrode by nebulized spray pyrolysis
journal, March 2000
- Murugavel, P.; Sharma, Rajat; Raju, A. R.
- Journal of Physics D: Applied Physics, Vol. 33, Issue 8
Die Gesetze der Krystallochemie
journal, May 1926
- Goldschmidt, V. M.
- Die Naturwissenschaften, Vol. 14, Issue 21
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
Neutron-diffraction study of R ( R =La,Pr,Nd,Sm): Electronically induced structural changes across the metal-insulator transition
journal, August 1992
- García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.
- Physical Review B, Vol. 46, Issue 8
Progress in perovskite nickelate research
journal, July 2008
- Catalan, G.
- Phase Transitions, Vol. 81, Issue 7-8
Designed nonlocal pseudopotentials for enhanced transferability
journal, May 1999
- Ramer, Nicholas J.; Rappe, Andrew M.
- Physical Review B, Vol. 59, Issue 19
Ferroelectric Field Effect Transistor Based on Epitaxial Perovskite Heterostructures
journal, April 1997
- Mathews, S.
- Science, Vol. 276, Issue 5310
The classification of tilted octahedra in perovskites
journal, November 1972
- Glazer, A. M.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
Electronic structure and metal-insulator transition in
journal, March 2002
- Abbate, M.; Zampieri, G.; Prado, F.
- Physical Review B, Vol. 65, Issue 15
Weak localization effects in some metallic perovskites
journal, August 2004
- Herranz, G.; Sánchez, F.; Martínez, B.
- The European Physical Journal B, Vol. 40, Issue 4
Ground State of the Electron Gas by a Stochastic Method
journal, August 1980
- Ceperley, D. M.; Alder, B. J.
- Physical Review Letters, Vol. 45, Issue 7, p. 566-569
Electronic structure of : An in situ soft x-ray photoemission and absorption study
journal, October 2007
- Horiba, K.; Eguchi, R.; Taguchi, M.
- Physical Review B, Vol. 76, Issue 15
Construction of the adiabatic connection
journal, December 1996
- Ernzerhof, Matthias
- Chemical Physics Letters, Vol. 263, Issue 3-4
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
journal, April 1997
- Gonze, Xavier; Lee, Changyol
- Physical Review B, Vol. 55, Issue 16
Rationale for mixing exact exchange with density functional approximations
journal, December 1996
- Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
- The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
Adiabatic density-functional perturbation theory
journal, August 1995
- Gonze, Xavier
- Physical Review A, Vol. 52, Issue 2
Hybrid functional study of proper and improper multiferroics
journal, January 2010
- Stroppa, A.; Picozzi, S.
- Physical Chemistry Chemical Physics, Vol. 12, Issue 20
Electric-field tuning of the metal-insulator transition in ultrathin films of LaNiO3
journal, November 2009
- Scherwitzl, R.; Zubko, P.; Lichtensteiger, C.
- Applied Physics Letters, Vol. 95, Issue 22
Optical study of strained ultrathin films of strongly correlated
journal, February 2011
- Stewart, M. K.; Yee, C. -H.; Liu, Jian
- Physical Review B, Vol. 83, Issue 7
Optimized pseudopotentials
journal, January 1990
- Rappe, Andrew M.; Rabe, Karin M.; Kaxiras, Efthimios
- Physical Review B, Vol. 41, Issue 2
Electronic structure and the metal-insulator transition in LnNiO 3 (Ln=La, Pr, Nd, Sm and Ho): bandstructure results
journal, November 1994
- Sarma, D. D.; Shanthi, N.; Mahadevan, P.
- Journal of Physics: Condensed Matter, Vol. 6, Issue 48
Electronic structure of thin films studied by x-ray photoelectron spectroscopy and density functional theory
journal, October 2010
- Masys, Š.; Mickevičius, S.; Grebinskij, S.
- Physical Review B, Vol. 82, Issue 16
Low-temperature electronic properties of a normal conducting perovskite oxide (LaNiO3)
journal, August 1991
- Rajeev, K. P.; Shivashankar, G. V.; Raychaudhuri, A. K.
- Solid State Communications, Vol. 79, Issue 7