DFT+DMFT calculations of the complex band and tunneling behavior for the transition metal monoxides MnO, FeO, CoO, and NiO

Zhang, Long; Staar, Peter; Kozhevnikov, Anton; Wang, Yun-Peng; Trinastic, Jonathan; Schulthess, Thomas; Cheng, Hai-Ping

doi:10.1103/physrevb.100.035104

Title: $DFT + DMFT$ calculations of the complex band and tunneling behavior for the transition metal monoxides MnO, FeO, CoO, and NiO

Journal Article · Mon Jul 08 00:00:00 EDT 2019 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.100.035104· OSTI ID:1577651

Zhang, Long ^[1]; Staar, Peter ^[2]; Kozhevnikov, Anton ^[2]; Wang, Yun-Peng ^[1]; Trinastic, Jonathan ^[1]; Schulthess, Thomas ^[2]; Cheng, Hai-Ping ^[1]

Univ. of Florida, Gainesville, FL (United States)
Eidgenoessische Technische Hochschule, Zurich (Switzerland)

Here, we report complex band structure (CBS) calculations for the four late transition metal monoxides MnO, FeO, CoO, and NiO in their paramagnetic phase. The CBS is obtained from density functional theory plus dynamical mean field theory (DMFT) calculations to take into account correlation effects. The so-called β parameters, governing the exponential decay of the transmission probability in the nonresonant tunneling regime of these oxides, are extracted from the CBS. Different model constructions are examined in the DMFT part of the calculation. The calculated β parameters provide theoretical estimation for the decay length in the evanescent channel, which would be useful for tunnel junction applications of these materials.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of Florida, Gainesville, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-02ER45995

OSTI ID:: 1577651

Alternate ID(s):: OSTI ID: 1546451

Journal Information:: Physical Review B, Vol. 100, Issue 3; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 19 works

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References (83)

Minimal basis sets in the linear muffin-tin orbital method: Application to the diamond-structure crystals C, Si, and Ge Lambrecht, Walter R. L.; Andersen, O. K. Physical Review B, Vol. 34, Issue 4 https://doi.org/10.1103/PhysRevB.34.2439	journal	August 1986
Implementation of the LDA+U method using the full-potential linearized augmented plane-wave basis Shick, A. B.; Liechtenstein, A. I.; Pickett, W. E. Physical Review B, Vol. 60, Issue 15 https://doi.org/10.1103/PhysRevB.60.10763	journal	October 1999
Complex Band Structure and Tunneling through Ferromagnet $/$ Insulator $/$ Ferromagnet Junctions Mavropoulos, Ph.; Papanikolaou, N.; Dederichs, P. H. Physical Review Letters, Vol. 85, Issue 5 https://doi.org/10.1103/PhysRevLett.85.1088	journal	July 2000
Dynamical cluster approximation with continuous lattice self-energy Staar, Peter; Maier, Thomas; Schulthess, Thomas C. Physical Review B, Vol. 88, Issue 11 https://doi.org/10.1103/PhysRevB.88.115101	journal	September 2013
Maximally localized Wannier functions: Theory and applications Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R. Reviews of Modern Physics, Vol. 84, Issue 4 https://doi.org/10.1103/RevModPhys.84.1419	journal	October 2012
$LDA + DMFT$ computation of the electronic spectrum of NiO Ren, X.; Leonov, I.; Keller, G. Physical Review B, Vol. 74, Issue 19 https://doi.org/10.1103/PhysRevB.74.195114	journal	November 2006
Metal-insulator transition and local-moment collapse in FeO under pressure Leonov, I. Physical Review B, Vol. 92, Issue 8 https://doi.org/10.1103/PhysRevB.92.085142	journal	August 2015
Frequency-dependent local interactions and low-energy effective models from electronic structure calculations Aryasetiawan, F.; Imada, M.; Georges, A. Physical Review B, Vol. 70, Issue 19 https://doi.org/10.1103/PhysRevB.70.195104	journal	November 2004
Theory of Surface States Heine, Volker Physical Review, Vol. 138, Issue 6A https://doi.org/10.1103/PhysRev.138.A1689	journal	June 1965
Experimental and Theoretical Evidence for Pressure-Induced Metallization in FeO with Rocksalt-Type Structure Ohta, Kenji; Cohen, R. E.; Hirose, Kei Physical Review Letters, Vol. 108, Issue 2 https://doi.org/10.1103/PhysRevLett.108.026403	journal	January 2012
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Vosko, S. H.; Wilk, L.; Nusair, M. Canadian Journal of Physics, Vol. 58, Issue 8 https://doi.org/10.1139/p80-159	journal	August 1980
Pressure-driven orbital selective insulator-to-metal transition and spin-state crossover in cubic CoO Huang, Li; Wang, Yilin; Dai, Xi Physical Review B, Vol. 85, Issue 24 https://doi.org/10.1103/PhysRevB.85.245110	journal	June 2012
Charge self-consistency in density functional theory combined with dynamical mean field theory: $k$ -space reoccupation and orbital order Bhandary, Sumanta; Assmann, Elias; Aichhorn, Markus Physical Review B, Vol. 94, Issue 15 https://doi.org/10.1103/PhysRevB.94.155131	journal	October 2016
Optical Absorption of CoO and MnO above and below the Néel Temperature Pratt, G. W.; Coelho, Roland Physical Review, Vol. 116, Issue 2 https://doi.org/10.1103/PhysRev.116.281	journal	October 1959
Hall mobility and defect structure in undoped and Cr or Ti-doped CoO at high temperature Gvishi, M.; Tannhauser, D. S. Journal of Physics and Chemistry of Solids, Vol. 33, Issue 4 https://doi.org/10.1016/S0022-3697(72)80105-7	journal	January 1972
Metal-insulator transition and lattice instability of paramagnetic $V_{2} O_{3}$ Leonov, I.; Anisimov, V. I.; Vollhardt, D. Physical Review B, Vol. 91, Issue 19 https://doi.org/10.1103/PhysRevB.91.195115	journal	May 2015
Continuous-pole-expansion method to obtain spectra of electronic lattice models Staar, Peter; Ydens, Bart; Kozhevnikov, Anton Physical Review B, Vol. 89, Issue 24 https://doi.org/10.1103/PhysRevB.89.245114	journal	June 2014
Magnetic collapse and the behavior of transition metal oxides at high pressure Leonov, I.; Pourovskii, L.; Georges, A. Physical Review B, Vol. 94, Issue 15 https://doi.org/10.1103/PhysRevB.94.155135	journal	October 2016
Maximally localized generalized Wannier functions for composite energy bands Marzari, Nicola; Vanderbilt, David Physical Review B, Vol. 56, Issue 20 https://doi.org/10.1103/PhysRevB.56.12847	journal	November 1997
Continuous-time Monte Carlo methods for quantum impurity models Gull, Emanuel; Millis, Andrew J.; Lichtenstein, Alexander I. Reviews of Modern Physics, Vol. 83, Issue 2 https://doi.org/10.1103/RevModPhys.83.349	journal	May 2011
Quantification of Correlations in Quantum Many-Particle Systems Byczuk, Krzysztof; Kuneš, Jan; Hofstetter, Walter Physical Review Letters, Vol. 108, Issue 8 https://doi.org/10.1103/PhysRevLett.108.087004	journal	February 2012
Collapse of magnetic moment drives the Mott transition in MnO Kuneš, Jan; Lukoyanov, Alexey V.; Anisimov, Vladimir I. Nature Materials, Vol. 7, Issue 3 https://doi.org/10.1038/nmat2115	journal	February 2008
Electronic structure and effects of dynamical electron correlation in ferromagnetic bcc Fe, fcc Ni, and antiferromagnetic NiO Miura, Oki; Fujiwara, Takeo Physical Review B, Vol. 77, Issue 19 https://doi.org/10.1103/PhysRevB.77.195124	journal	May 2008
Electron density distribution in paramagnetic and antiferromagnetic CoO: A γ-ray diffraction study Jauch, W.; Reehuis, M. Physical Review B, Vol. 65, Issue 12 https://doi.org/10.1103/PhysRevB.65.125111	journal	March 2002
DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods Hähner, Urs R.; Alvarez, Gonzalo; Maier, Thomas A. Computer Physics Communications, Vol. 246 https://doi.org/10.1016/j.cpc.2019.01.006	journal	January 2020
Complex band structure, decay lengths, and Fermi level alignment in simple molecular electronic systems Tomfohr, John K.; Sankey, Otto F. Physical Review B, Vol. 65, Issue 24 https://doi.org/10.1103/PhysRevB.65.245105	journal	May 2002
Néel Temperature of Antiferromagnets for Phase Transitions Driven by Spin-wave Interactions Ayuela, Andrés; Klein, Douglas J.; March, Norman H. Croatica Chemica Acta, Vol. 86, Issue 4 https://doi.org/10.5562/cca2266	journal	January 2013
Surface representations and complex band structure of a diamond-type semiconductor Jones, R. O. Proceedings of the Physical Society, Vol. 89, Issue 2 https://doi.org/10.1088/0370-1328/89/2/327	journal	October 1966
Consistent LDA’ + DMFT approach to the electronic structure of transition metal oxides: Charge transfer insulators and correlated metals Nekrasov, I. A.; Pavlov, N. S.; Sadovskii, M. V. Journal of Experimental and Theoretical Physics, Vol. 116, Issue 4 https://doi.org/10.1134/S1063776113030126	journal	April 2013
First-principles calculations of dynamical screened interactions for the transition metal oxides $M$ O ( $M$ =Mn, Fe, Co, Ni) Sakuma, R.; Aryasetiawan, F. Physical Review B, Vol. 87, Issue 16 https://doi.org/10.1103/PhysRevB.87.165118	journal	April 2013
Computing total energies in complex materials using charge self-consistent DFT + DMFT Park, Hyowon; Millis, Andrew J.; Marianetti, Chris A. Physical Review B, Vol. 90, Issue 23 https://doi.org/10.1103/PhysRevB.90.235103	journal	December 2014
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and $GW$ schemes Ferretti, Andrea; Mallia, Giuseppe; Martin-Samos, Layla Physical Review B, Vol. 85, Issue 23 https://doi.org/10.1103/PhysRevB.85.235105	journal	June 2012
Semiconductor interface formation: theoretical aspects Flores, F.; Ortega, J. Applied Surface Science, Vol. 56-58 https://doi.org/10.1016/0169-4332(92)90248-V	journal	January 1992
Electron density distribution in paramagnetic and antiferromagnetic MnO: A γ-ray diffraction study Jauch, W.; Reehuis, M. Physical Review B, Vol. 67, Issue 18 https://doi.org/10.1103/PhysRevB.67.184420	journal	May 2003
Hubbard $U$ and Hund exchange $J$ in transition metal oxides: Screening versus localization trends from constrained random phase approximation Vaugier, Loïg; Jiang, Hong; Biermann, Silke Physical Review B, Vol. 86, Issue 16 https://doi.org/10.1103/PhysRevB.86.165105	journal	October 2012
Discussion of the paper by de Boer and Verwey Mott, N. F.; Peierls, R. Proceedings of the Physical Society, Vol. 49, Issue 4S https://doi.org/10.1088/0959-5309/49/4S/308	journal	August 1937
The Basis of the Electron Theory of Metals, with Special Reference to the Transition Metals Mott, N. F. Proceedings of the Physical Society. Section A, Vol. 62, Issue 7 https://doi.org/10.1088/0370-1298/62/7/303	journal	July 1949
Accurate screened exchange band structures for the transition metal monoxides MnO, FeO, CoO and NiO Gillen, Roland; Robertson, John Journal of Physics: Condensed Matter, Vol. 25, Issue 16 https://doi.org/10.1088/0953-8984/25/16/165502	journal	April 2013
Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials Korotin, Dm.; Kozhevnikov, A. V.; Skornyakov, S. L. The European Physical Journal B, Vol. 65, Issue 1 https://doi.org/10.1140/epjb/e2008-00326-3	journal	September 2008
Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications Grånäs, O.; Di Marco, I.; Thunström, P. Computational Materials Science, Vol. 55 https://doi.org/10.1016/j.commatsci.2011.11.032	journal	April 2012
Calculations of Hubbard $U$ from first-principles Aryasetiawan, F.; Karlsson, K.; Jepsen, O. Physical Review B, Vol. 74, Issue 12 https://doi.org/10.1103/PhysRevB.74.125106	journal	September 2006
The metal-semiconductor interface: Si (111) and zincblende (110) junctions Tejedor, C.; Flores, F.; Louis, E. Journal of Physics C: Solid State Physics, Vol. 10, Issue 12 https://doi.org/10.1088/0022-3719/10/12/022	journal	June 1977
Valence-band satellite in ferromagnetic nickel: LDA+DMFT study with exact diagonalization Kolorenč, Jindřich; Poteryaev, Alexander I.; Lichtenstein, Alexander I. Physical Review B, Vol. 85, Issue 23 https://doi.org/10.1103/PhysRevB.85.235136	journal	June 2012
Optical Properties of NiO and CoO Powell, R. J.; Spicer, W. E. Physical Review B, Vol. 2, Issue 6 https://doi.org/10.1103/PhysRevB.2.2182	journal	September 1970
Condensed Matter Field Theory Altland, Alexander; Simons, Ben D. https://doi.org/10.1017/CBO9780511789984	book	August 2010
Local correlations and hole doping in NiO: A dynamical mean-field study Kuneš, J.; Anisimov, V. I.; Lukoyanov, A. V. Physical Review B, Vol. 75, Issue 16 https://doi.org/10.1103/PhysRevB.75.165115	journal	April 2007
Electron density distribution in paramagnetic and antiferromagnetic NiO: A $γ$ -ray diffraction study Jauch, W.; Reehuis, M. Physical Review B, Vol. 70, Issue 19 https://doi.org/10.1103/PhysRevB.70.195121	journal	November 2004
LDA+DMFT study of magnetic transition and metallization in CoO under pressure Dyachenko, A. A.; Shorikov, A. O.; Lukoyanov, A. V. JETP Letters, Vol. 96, Issue 1 https://doi.org/10.1134/S002136401213005X	journal	September 2012
Angle resolved photoemission on NiO: on the nature of the valence band Tjernberg, O.; Söderholm, S.; Rogelet, T. Vacuum, Vol. 46, Issue 8-10 https://doi.org/10.1016/0042-207X(95)00144-1	journal	August 1995
Pressure-Induced Site-Selective Mott Insulator-Metal Transition in ${Fe}_{2} O_{3}$ Greenberg, Eran; Leonov, Ivan; Layek, Samar Physical Review X, Vol. 8, Issue 3 https://doi.org/10.1103/PhysRevX.8.031059	journal	September 2018
Spin-phonon coupling in highly correlated transition-metal monoxides Kant, Ch.; Mayr, F.; Rudolf, T. The European Physical Journal Special Topics, Vol. 180, Issue 1 https://doi.org/10.1140/epjst/e2010-01211-6	journal	December 2009
Consistent LDA’ + DMFT—an unambiguous way to avoid double counting problem: NiO test Nekrasov, I. A.; Pavlov, V. S.; Sadovskii, M. V. JETP Letters, Vol. 95, Issue 11 https://doi.org/10.1134/S0021364012110070	journal	August 2012
Accuracy of downfolding based on the constrained random-phase approximation Shinaoka, Hiroshi; Troyer, Matthias; Werner, Philipp Physical Review B, Vol. 91, Issue 24 https://doi.org/10.1103/PhysRevB.91.245156	journal	June 2015
Electrical and optical properties of FeO Bowen, H. K.; Adler, D.; Auker, B. H. Journal of Solid State Chemistry, Vol. 12, Issue 3-4, p. 355-359 https://doi.org/10.1016/0022-4596(75)90340-0	journal	January 1975
Ni–NiO–Ni tunnel junctions for terahertz and infrared detection Hobbs, Philip C. D.; Laibowitz, Robert B.; Libsch, Frank R. Applied Optics, Vol. 44, Issue 32 https://doi.org/10.1364/AO.44.006813	journal	January 2005
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions Georges, Antoine; Kotliar, Gabriel; Krauth, Werner Reviews of Modern Physics, Vol. 68, Issue 1 https://doi.org/10.1103/RevModPhys.68.13	journal	January 1996
Orbital-selective pressure-driven metal to insulator transition in FeO from dynamical mean-field theory Shorikov, A. O.; Pchelkina, Z. V.; Anisimov, V. I. Physical Review B, Vol. 82, Issue 19 https://doi.org/10.1103/PhysRevB.82.195101	journal	November 2010
NiO: Correlated Band Structure of a Charge-Transfer Insulator Kuneš, J.; Anisimov, V. I.; Skornyakov, S. L. Physical Review Letters, Vol. 99, Issue 15 https://doi.org/10.1103/PhysRevLett.99.156404	journal	October 2007
Magnitude and Origin of the Band Gap in NiO Sawatzky, G. A.; Allen, J. W. Physical Review Letters, Vol. 53, Issue 24 https://doi.org/10.1103/PhysRevLett.53.2339	journal	December 1984
A local exchange-correlation potential for the spin polarized case. i Barth, U. von; Hedin, L. Journal of Physics C: Solid State Physics, Vol. 5, Issue 13 https://doi.org/10.1088/0022-3719/5/13/012	journal	July 1972
Double counting in LDA+DMFT—The example of NiO Karolak, M.; Ulm, G.; Wehling, T. Journal of Electron Spectroscopy and Related Phenomena, Vol. 181, Issue 1 https://doi.org/10.1016/j.elspec.2010.05.021	journal	July 2010
Electron correlations in narrow energy bands Hubbard, J. Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 276, Issue 1365, p. 238-257 https://doi.org/10.1098/rspa.1963.0204	journal	November 1963
Theory of tunneling transport in periodic chains Prodan, Emil; Car, Roberto Physical Review B, Vol. 80, Issue 3 https://doi.org/10.1103/PhysRevB.80.035124	journal	July 2009
Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO Rödl, C.; Fuchs, F.; Furthmüller, J. Physical Review B, Vol. 79, Issue 23 https://doi.org/10.1103/PhysRevB.79.235114	journal	June 2009
Schottky Barrier Heights and the Continuum of Gap States Tersoff, J. Physical Review Letters, Vol. 52, Issue 6 https://doi.org/10.1103/PhysRevLett.52.465	journal	February 1984
Influence of magnetic ordering on the NiO valence band Tjernberg, O.; Söderholm, S.; Chiaia, G. Physical Review B, Vol. 54, Issue 15 https://doi.org/10.1103/PhysRevB.54.10245	journal	October 1996
Electronic structure of NiO: Correlation and band effects Shen, Z. -X.; List, R. S.; Dessau, D. S. Physical Review B, Vol. 44, Issue 8 https://doi.org/10.1103/PhysRevB.44.3604	journal	August 1991
Band structure, evanescent states, and transport in spin tunnel junctions Zhang, X-G; Butler, W. H. Journal of Physics: Condensed Matter, Vol. 15, Issue 41 https://doi.org/10.1088/0953-8984/15/41/R01	journal	October 2003
Schottky Barrier Heights and the Continuum of Gap States Tersoff, J. Physical Review Letters, Vol. 52, Issue 12 https://doi.org/10.1103/physrevlett.52.1054.3	journal	March 1984
Theory of surface states Gurman, S. J. Surface Science, Vol. 55, Issue 1 https://doi.org/10.1016/0039-6028(76)90378-2	journal	April 1976
DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods Urs, Bulling,; Gonzalo, Alvarez,; A., Maier, Thomas ETH Zurich https://doi.org/10.3929/ethz-b-000374990	text	January 2020
NiO: Correlated Bandstructure of a Charge-Transfer Insulator Kunes, J.; Anisimov, V. I.; Skornyakov, S. L. arXiv https://doi.org/10.48550/arxiv.0705.1692	text	January 2007
Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials Korotin, Dm.; Kozhevnikov, A. V.; Skornyakov, S. L. arXiv https://doi.org/10.48550/arxiv.0801.3500	text	January 2008
Theory of tunneling transport in periodic chains Prodan, Emil; Car, Roberto arXiv https://doi.org/10.48550/arxiv.0904.3007	text	January 2009
Orbital Selective Pressure-Driven Metal-Insulator Transition in FeO from Dynamical Mean-Field Theory ~Shorikov, A. ~O.; ~Pchelkina, Z. ~V.; ~Anisimov, V. ~I. arXiv https://doi.org/10.48550/arxiv.1007.4650	text	January 2010
Pressure-Driven Orbital Selective Insulator to Metal Transition and Spin State Crossover in Cubic CoO Huang, Li; Wang, Yilin; Dai, Xi arXiv https://doi.org/10.48550/arxiv.1112.2790	text	January 2011
Experimental and theoretical evidence for pressure-induced metallization in FeO with the rock-salt type structure Ohta, Kenji; Cohen, R. E.; Hirose, Kei arXiv https://doi.org/10.48550/arxiv.1112.5068	text	January 2011
Maximally localized Wannier functions: Theory and applications Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R. arXiv https://doi.org/10.48550/arxiv.1112.5411	text	January 2011
Valence-band satellite in the ferromagnetic nickel: LDA+DMFT study with exact diagonalization Kolorenc, Jindrich; Poteryaev, Alexander I.; Lichtenstein, Alexander I. arXiv https://doi.org/10.48550/arxiv.1202.6595	text	January 2012
Accurate screened exchange band structures for transition metal monoxides MnO, FeO, CoO and NiO Gillen, Roland; Robertson, John arXiv https://doi.org/10.48550/arxiv.1208.0786	text	January 2012
Consistent LDA'+DMFT approach to electronic structure of transition metal oxides: charge transfer insulators and correlated metals Nekrasov, I. A.; Pavlov, N. S.; Sadovskii, M. V. arXiv https://doi.org/10.48550/arxiv.1208.4732	text	January 2012
Frequency-dependent local interactions and low-energy effective models from electronic structure calculations Aryasetiawan, F.; Imada, M.; Georges, A. arXiv https://doi.org/10.48550/arxiv.cond-mat/0401620	text	January 2004
Local correlations and hole doping in NiO: a dynamical mean field study Kunes, J.; Anisimov, V. I.; Lukoyanov, A. V. arXiv https://doi.org/10.48550/arxiv.cond-mat/0612116	text	January 2006

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Title: $DFT + DMFT$ calculations of the complex band and tunneling behavior for the transition metal monoxides MnO, FeO, CoO, and NiO