Spin-polarized two-dimensional t 2 g electron gas: Ab initio study of EuO interface with oxygen-deficient SrTi O 3

Gao, Lingyuan; Demkov, Alexander A.

doi:10.1103/PhysRevB.97.125305

Title: Spin-polarized two-dimensional $t_{2 g}$ electron gas: Ab initio study of EuO interface with oxygen-deficient $SrTi O_{3}$

Journal Article · Mon Mar 19 00:00:00 EDT 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.97.125305· OSTI ID:1426834

Gao, Lingyuan; Demkov, Alexander A.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: DESC0008877

OSTI ID:: 1426834

Journal Information:: Physical Review B, Journal Name: Physical Review B Vol. 97 Journal Issue: 12; ISSN 2469-9950

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 8 works

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References (51)

Oxygen-vacancy driven electron localization and itinerancy in rutile-based ${TiO}_{2}$ Lechermann, Frank; Heckel, Wolfgang; Kristanovski, Oleg Physical Review B, Vol. 95, Issue 19 https://doi.org/10.1103/PhysRevB.95.195159	journal	May 2017
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Electron Correlation in Oxygen Vacancy in ${SrTiO}_{3}$ Lin, Chungwei; Demkov, Alexander A. Physical Review Letters, Vol. 111, Issue 21 https://doi.org/10.1103/PhysRevLett.111.217601	journal	November 2013
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Giant and tunable valley degeneracy splitting in ${MoTe}_{2}$ Qi, Jingshan; Li, Xiao; Niu, Qian Physical Review B, Vol. 92, Issue 12 https://doi.org/10.1103/PhysRevB.92.121403	journal	September 2015
Scavenging of oxygen from SrTiO ₃ during oxide thin film deposition and the formation of interfacial 2DEGs Posadas, Agham B.; Kormondy, Kristy J.; Guo, Wei Journal of Applied Physics, Vol. 121, Issue 10 https://doi.org/10.1063/1.4978248	journal	March 2017
Cation mixing, band offsets and electric fields at LaAlO3/SrTiO3(001) heterojunctions with variable La:Al atom ratio Qiao, L.; Droubay, T. C.; Kaspar, T. C. Surface Science, Vol. 605, Issue 15-16 https://doi.org/10.1016/j.susc.2011.04.035	journal	August 2011
Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic $3 d^{1}$ Perovskites Pavarini, E.; Biermann, S.; Poteryaev, A. Physical Review Letters, Vol. 92, Issue 17 https://doi.org/10.1103/PhysRevLett.92.176403	journal	April 2004
Exchange optics in Gd-doped EuO Schoenes, J.; Wachter, P. Physical Review B, Vol. 9, Issue 7 https://doi.org/10.1103/PhysRevB.9.3097	journal	April 1974
Thermodynamic instability at the stoichiometric LaAlO ₃ / SrTiO ₃ (001) interface Qiao, L.; Droubay, T. C.; Shutthanandan, V. Journal of Physics: Condensed Matter, Vol. 22, Issue 31 https://doi.org/10.1088/0953-8984/22/31/312201	journal	July 2010
Proximity induced room temperature ferromagnetism in graphene probed with spin currents Leutenantsmeyer, Johannes Christian; Kaverzin, Alexey A.; Wojtaszek, Magdalena 2D Materials, Vol. 4, Issue 1 https://doi.org/10.1088/2053-1583/4/1/014001	journal	November 2016
Charge localization or itineracy at $La Al O_{3} ∕ Sr Ti O_{3}$ interfaces Hole polarons, oxygen vacancies, and mobile electrons Pentcheva, R.; Pickett, W. E. Physical Review B, Vol. 74, Issue 3, Article No. 035112 https://doi.org/10.1103/PhysRevB.74.035112	journal	July 2006
Localized electronic states induced by defects and possible origin of ferroelectricity in strontium titanate thin films Kim, Y. S.; Kim, J.; Moon, S. J. Applied Physics Letters, Vol. 94, Issue 20 https://doi.org/10.1063/1.3139767	journal	May 2009
First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I. Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808 https://doi.org/10.1088/0953-8984/9/4/002	journal	January 1997
Quasi-two-dimensional electron gas at the epitaxial alumina/SrTiO ₃ interface: Control of oxygen vacancies Kormondy, Kristy J.; Posadas, Agham B.; Ngo, Thong Q. Journal of Applied Physics, Vol. 117, Issue 9 https://doi.org/10.1063/1.4913860	journal	March 2015
Quasi-two-dimensional electron gas at the interface of γ-Al ₂ O ₃ /SrTiO ₃ heterostructures grown by atomic layer deposition Ngo, Thong Q.; Goble, Nicholas J.; Posadas, Agham Journal of Applied Physics, Vol. 118, Issue 11 https://doi.org/10.1063/1.4930575	journal	September 2015
Effect of oxygen vacancies in the ${SrTiO}_{3}$ substrate on the electrical properties of the ${LaAlO}_{3} ∕ {SrTiO}_{3}$ interface Kalabukhov, Alexey; Gunnarsson, Robert; Börjesson, Johan Physical Review B, Vol. 75, Issue 12 https://doi.org/10.1103/PhysRevB.75.121404	journal	March 2007
Orbital ordering under reduced symmetry in transition metal perovskites: Oxygen vacancy in SrTiO $_{3}$ Lin, Chungwei; Mitra, Chandrima; Demkov, Alexander A. Physical Review B, Vol. 86, Issue 16 https://doi.org/10.1103/PhysRevB.86.161102	journal	October 2012
Electronic structure of oxygen vacancies in ${SrTiO}_{3}$ and ${LaAlO}_{3}$ Mitra, C.; Lin, C.; Robertson, J. Physical Review B, Vol. 86, Issue 15 https://doi.org/10.1103/PhysRevB.86.155105	journal	October 2012
Two-dimensional electron gas with universal subbands at the surface of SrTiO₃ Santander-Syro, A. F.; Copie, O.; Kondo, T. Nature, Vol. 469, Issue 7329, p. 189-193 https://doi.org/10.1038/nature09720	journal	January 2011
Coexistence of magnetic order and two-dimensional superconductivity at LaAlO₃/SrTiO₃ interfaces Li, Lu; Richter, C.; Mannhart, J. Nature Physics, Vol. 7, Issue 10, p. 762-766 https://doi.org/10.1038/nphys2080	journal	September 2011
Creation and control of a two-dimensional electron liquid at the bare SrTiO3 surface Meevasana, W.; King, P. D. C.; He, R. H. Nature Materials, Vol. 10, Issue 2 https://doi.org/10.1038/nmat2943	journal	January 2011
Magnetic effects at the interface between non-magnetic oxides Brinkman, A.; Huijben, M.; van Zalk, M. Nature Materials, Vol. 6, Issue 7, p. 493-496 https://doi.org/10.1038/nmat1931	journal	June 2007
Integration of the Ferromagnetic Insulator EuO onto Graphene Swartz, Adrian G.; Odenthal, Patrick M.; Hao, Yufeng ACS Nano, Vol. 6, Issue 11 https://doi.org/10.1021/nn303771f	journal	October 2012
Titanium dx y ferromagnetism at the LaAlO3/SrTiO3 interface Lee, J. -S.; Xie, Y. W.; Sato, H. K. Nature Materials, Vol. 12, Issue 8 https://doi.org/10.1038/nmat3674	journal	June 2013
Spin-dependent optical response of multiferroic EuO: First-principles DFT calculations Tong, Wen-Yi; Ding, Hang-Chen; Gao, Yong-Chao Physical Review B, Vol. 89, Issue 6 https://doi.org/10.1103/PhysRevB.89.064404	journal	February 2014
High Mobility in ${LaAlO}_{3} / {SrTiO}_{3}$ Heterostructures: Origin, Dimensionality, and Perspectives Herranz, G.; Basletić, M.; Bibes, M. Physical Review Letters, Vol. 98, Issue 21, Article No. 216803 https://doi.org/10.1103/PhysRevLett.98.216803	journal	May 2007
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Oxygen Vacancy Clustering and Electron Localization in Oxygen-Deficient ${SrTiO}_{3}$ : $LDA + U$ Study Cuong, Do Duc; Lee, Bora; Choi, Kyeong Mi Physical Review Letters, Vol. 98, Issue 11 https://doi.org/10.1103/PhysRevLett.98.115503	journal	March 2007
The magnetic, optical, and transport properties of representatives of a class of magnetic semiconductors: The europium chalcogenides Mauger, A.; Godart, C. Physics Reports, Vol. 141, Issue 2-3 https://doi.org/10.1016/0370-1573(86)90139-0	journal	August 1986
Strain-Induced Ferroelectricity in Simple Rocksalt Binary Oxides Bousquet, Eric; Spaldin, Nicola A.; Ghosez, Philippe Physical Review Letters, Vol. 104, Issue 3 https://doi.org/10.1103/PhysRevLett.104.037601	journal	January 2010
Thermodynamic stability and band alignment at a metal–high- $k$ dielectric interface Demkov, Alexander A. Physical Review B, Vol. 74, Issue 8 https://doi.org/10.1103/PhysRevB.74.085310	journal	August 2006
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Band theory and Mott insulators: Hubbard U instead of Stoner I Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K. Physical Review B, Vol. 44, Issue 3, p. 943-954 https://doi.org/10.1103/PhysRevB.44.943	journal	July 1991
Prediction of a spin-polarized two-dimensional electron gas at the ${LaAlO}_{3} / EuO (001)$ interface Wang, Yong; Niranjan, Manish K.; Burton, J. D. Physical Review B, Vol. 79, Issue 21 https://doi.org/10.1103/PhysRevB.79.212408	journal	June 2009
Exchange Splitting and Charge Carrier Spin Polarization in EuO Steeneken, P. G.; Tjeng, L. H.; Elfimov, I. Physical Review Letters, Vol. 88, Issue 4 https://doi.org/10.1103/PhysRevLett.88.047201	journal	January 2002
A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface Ohtomo, A.; Hwang, H. Y. Nature, Vol. 427, Issue 6973 https://doi.org/10.1038/nature02308	journal	January 2004
Tunable Quasi-Two-Dimensional Electron Gases in Oxide Heterostructures Thiel, S. Science, Vol. 313, Issue 5795, p. 1942-1945 https://doi.org/10.1126/science.1131091	journal	September 2006
Why some interfaces cannot be sharp Nakagawa, Naoyuki; Hwang, Harold Y.; Muller, David A. Nature Materials, Vol. 5, Issue 3, p. 204-209 https://doi.org/10.1038/nmat1569	journal	January 2006
Charge origin and localization at the $n$ -type ${SrTiO}_{3} / {LaAlO}_{3}$ interface Lee, Jaekwang; Demkov, Alexander A. Physical Review B, Vol. 78, Issue 19 https://doi.org/10.1103/PhysRevB.78.193104	journal	November 2008
Superconducting Interfaces Between Insulating Oxides Reyren, N.; Thiel, S.; Caviglia, A. D. Science, Vol. 317, Issue 5842 https://doi.org/10.1126/science.1146006	journal	August 2007
Spin-polarized two-dimensional electron gas through electrostatic doping in ${LaAlO}_{3} / EuO$ heterostructures Lee, Jaekwang; Sai, Na; Demkov, Alexander A. Physical Review B, Vol. 82, Issue 23 https://doi.org/10.1103/PhysRevB.82.235305	journal	December 2010
Localized versus itinerant states created by multiple oxygen vacancies in SrTiO ₃ Jeschke, Harald O.; Shen, Juan; Valentí, Roser New Journal of Physics, Vol. 17, Issue 2 https://doi.org/10.1088/1367-2630/17/2/023034	journal	February 2015
Oxygen vacancies on SrO-terminated $SrTi O_{3} (001)$ surfaces studied by scanning tunneling spectroscopy Sitaputra, Wattaka; Sivadas, Nikhil; Skowronski, Marek Physical Review B, Vol. 91, Issue 20 https://doi.org/10.1103/PhysRevB.91.205408	journal	May 2015
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
Observation of spin filtering with a ferromagnetic $EuO$ tunnel barrier Santos, Tiffany S.; Moodera, Jagadeesh S. Physical Review B, Vol. 69, Issue 24 https://doi.org/10.1103/PhysRevB.69.241203	journal	June 2004
Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3(001) heterojunction Chambers, S. A.; Engelhard, M. H.; Shutthanandan, V. Surface Science Reports, Vol. 65, Issue 10-12 https://doi.org/10.1016/j.surfrep.2010.09.001	journal	October 2010
Role of Ti Antisitelike Defects in ${SrTiO}_{3}$ Choi, Minseok; Oba, Fumiyasu; Tanaka, Isao Physical Review Letters, Vol. 103, Issue 18 https://doi.org/10.1103/PhysRevLett.103.185502	journal	October 2009
Direct imaging of the coexistence of ferromagnetism and superconductivity at the LaAlO₃/SrTiO₃ interface Bert, Julie A.; Kalisky, Beena; Bell, Christopher Nature Physics, Vol. 7, Issue 10, p. 767-771 https://doi.org/10.1038/nphys2079	journal	September 2011
Defect States Induced by Oxygen Vacancies in Cubic SrTiO ₃ : First-Principles Calculations Hou, Zhufeng; Terakura, Kiyoyuki Journal of the Physical Society of Japan, Vol. 79, Issue 11 https://doi.org/10.1143/JPSJ.79.114704	journal	November 2010
Strain Tuning of Ferroelectric Thin Films Schlom, Darrell G.; Chen, Long-Qing; Eom, Chang-Beom Annual Review of Materials Research, Vol. 37, Issue 1 https://doi.org/10.1146/annurev.matsci.37.061206.113016	journal	August 2007

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