Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain

Li, Dong; Zhu, Bonan; Backes, Dirk; Veiga, Larissa S. I.; Lee, Tien-Lin; Wang, Hongguang; He, Qian; Roy, Pinku; Zhang, Jiaye; Shi, Jueli; Chen, Aiping; van Aken, Peter A.; Jia, Quanxi; Dhesi, Sarnjeet S.; Scanlon, David O.; Zhang, Kelvin L.; Li, Weiwei

doi:10.1103/physrevb.105.165426

Title: Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain

Abstract

Strain engineering of epitaxial transition metal oxide heterostructures offers an intriguing opportunity to control electronic structures by modifying the interplay between spin, charge, orbital, and lattice degrees of freedom. Here, we demonstrate that the electronic structure, magnetic and transport properties of La_0.9Ba_0.1MnO₃ thin films can be effectively controlled by epitaxial strain. Spectroscopic studies and first-principles calculations reveal that the orbital occupancy in Mn eg orbitals can be switched from the d_3z²-r² orbital to the d_x²-y² orbital by varying the strain from compressive to tensile. Further, the change of orbital occupancy associated with Mn 3d-O 2p hybridization leads to dramatic modulation of the magnetic and electronic properties of strained La_0.9Ba_0.1MnO₃ thin films. Under moderate tensile strain, an emergent ferromagnetic insulating state with an enhanced ferromagnetic Curie temperature of 215 K is achieved. These findings not only deepen our understanding of electronic structures, magnetic and transport properties in the La_0.9Ba_0.1MnO₃ system, but also demonstrate the use of epitaxial strain as an effective knob to tune the electronic structures and related physical properties for potential spintronic device applications.

Authors:

Li, Dong ^[1];

^[2];

^[3]; Veiga, Larissa S. I. ^[3]; Lee, Tien-Lin ^[3]; Wang, Hongguang ^[4]; He, Qian ^[5];

^[6]; Zhang, Jiaye ^[7]; Shi, Jueli ^[7];

^[8]; van Aken, Peter A. ^[4]; Jia, Quanxi ^[9]; Dhesi, Sarnjeet S. ^[3]; Scanlon, David O. ^[10];

^[7];

^[1]

Nanjing Univ. of Aeronautics and Astronautics (China)
Univ. College London (United Kingdom)
Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Diamond Light Source, Ltd.
Max Planck Institute of Solid State Research, Stuttgart (Germany)
National Univ. of Singapore (Singapore)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); State Univ. of New York (SUNY), Buffalo, NY (United States)
Xiamen Univ. (China)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
State Univ. of New York (SUNY), Buffalo, NY (United States)
Univ. College London (United Kingdom); Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Diamond Light Source, Ltd.

Publication Date:: Fri Apr 22 00:00:00 EDT 2022

Research Org.:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); National Natural Science Foundation of China (NSFC); National Natural Science Foundation of Jiangsu Province; European Research Council (ERC); Engineering and Physical Sciences Research Council (EPSRC); Singapore National Science Foundation; National Science Foundation (NSF)

OSTI Identifier:: 1900501

Report Number(s):: LA-UR-22-28512
Journal ID: ISSN 2469-9950; TRN: US2311049

Grant/Contract Number:: 89233218CNA000001; 52102177; BK20210313; 21872116; 22075232; 758345; EP/L000202; EP/R029431; EP/T022213; EP/P020194; NRF-NRFF11-2019-0002; ECCS-1902623; 823717-ESTEEM3

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B

Additional Journal Information:: Journal Volume: 105; Journal Issue: 16; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Material Science

Citation Formats


                    Li, Dong, Zhu, Bonan, Backes, Dirk, Veiga, Larissa S. I., Lee, Tien-Lin, Wang, Hongguang, He, Qian, Roy, Pinku, Zhang, Jiaye, Shi, Jueli, Chen, Aiping, van Aken, Peter A., Jia, Quanxi, Dhesi, Sarnjeet S., Scanlon, David O., Zhang, Kelvin L., and Li, Weiwei. Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain.  United States: N. p., 2022. 
Web.  doi:10.1103/physrevb.105.165426.

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                    Li, Dong, Zhu, Bonan, Backes, Dirk, Veiga, Larissa S. I., Lee, Tien-Lin, Wang, Hongguang, He, Qian, Roy, Pinku, Zhang, Jiaye, Shi, Jueli, Chen, Aiping, van Aken, Peter A., Jia, Quanxi, Dhesi, Sarnjeet S., Scanlon, David O., Zhang, Kelvin L., & Li, Weiwei. Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain.  United States.  https://doi.org/10.1103/physrevb.105.165426

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                    Li, Dong, Zhu, Bonan, Backes, Dirk, Veiga, Larissa S. I., Lee, Tien-Lin, Wang, Hongguang, He, Qian, Roy, Pinku, Zhang, Jiaye, Shi, Jueli, Chen, Aiping, van Aken, Peter A., Jia, Quanxi, Dhesi, Sarnjeet S., Scanlon, David O., Zhang, Kelvin L., and Li, Weiwei. Fri .  
"Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain".  United States.  https://doi.org/10.1103/physrevb.105.165426.  https://www.osti.gov/servlets/purl/1900501.

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@article{osti_1900501,

  title        = {Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain},

  author       = {Li, Dong and Zhu, Bonan and Backes, Dirk and Veiga, Larissa S. I. and Lee, Tien-Lin and Wang, Hongguang and He, Qian and Roy, Pinku and Zhang, Jiaye and Shi, Jueli and Chen, Aiping and van Aken, Peter A. and Jia, Quanxi and Dhesi, Sarnjeet S. and Scanlon, David O. and Zhang, Kelvin L. and Li, Weiwei},

  abstractNote = {Strain engineering of epitaxial transition metal oxide heterostructures offers an intriguing opportunity to control electronic structures by modifying the interplay between spin, charge, orbital, and lattice degrees of freedom. Here, we demonstrate that the electronic structure, magnetic and transport properties of La0.9Ba0.1MnO3 thin films can be effectively controlled by epitaxial strain. Spectroscopic studies and first-principles calculations reveal that the orbital occupancy in Mn eg orbitals can be switched from the d3z2-r2 orbital to the dx2-y2 orbital by varying the strain from compressive to tensile. Further, the change of orbital occupancy associated with Mn 3d-O 2p hybridization leads to dramatic modulation of the magnetic and electronic properties of strained La0.9Ba0.1MnO3 thin films. Under moderate tensile strain, an emergent ferromagnetic insulating state with an enhanced ferromagnetic Curie temperature of 215 K is achieved. These findings not only deepen our understanding of electronic structures, magnetic and transport properties in the La0.9Ba0.1MnO3 system, but also demonstrate the use of epitaxial strain as an effective knob to tune the electronic structures and related physical properties for potential spintronic device applications.},

  doi          = {10.1103/physrevb.105.165426},

  journal      = {Physical Review. B},

  number       = 16,

  volume       = 105,

  place        = {United States},

  year         = {Fri Apr 22 00:00:00 EDT 2022},

  month        = {Fri Apr 22 00:00:00 EDT 2022}

}

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Title: Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain

Abstract

Citation Formats

Magnetic Properties at Surface Boundary of a Half-Metallic Ferromagnet La 0.7 Sr 0.3 MnO 3 journal, August 1998

Defects in complex oxide thin films for electronics and energy applications: challenges and opportunities journal, January 2020

Experimental Confirmation of the X-Ray Magnetic Circular Dichroism Sum Rules for Iron and Cobalt journal, July 1995

Evidence of Orbital Reconstruction at Interfaces in Ultrathin La 0.67 Sr 0.33 MnO 3 Films journal, April 2008

Tailoring physical functionalities of complex oxides by vertically aligned nanocomposite thin-film design journal, February 2021

Projector augmented-wave method journal, December 1994

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Electronic structure of La 1 − x Sr x MnO 3 studied by photoemission and x-ray-absorption spectroscopy journal, May 1995

Electronic band redistribution probed by oxygen absorption spectra of (SrMnO 3 ) n (LaMnO 3 ) 2 n superlattices journal, March 2012

Strain induced extrinsic magnetocaloric effects in La 0.67 Sr 0.33 MnO 3 thin films, controlled by magnetic field journal, February 2019

Spin filtering through ferromagnetic Bi Mn O 3 tunnel barriers journal, July 2005

Atomic‐Scale Control of Electronic Structure and Ferromagnetic Insulating State in Perovskite Oxide Superlattices by Long‐Range Tuning of BO 6 Octahedra journal, August 2020

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The magnetic, optical, and transport properties of representatives of a class of magnetic semiconductors: The europium chalcogenides journal, August 1986

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AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance journal, September 2020

Controlled-valence properties of La 1 − x Sr x FeO 3 and La 1 − x Sr x MnO 3 studied by soft-x-ray absorption spectroscopy journal, August 1992

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Erratum: Evidence of Orbital Reconstruction at Interfaces in Ultrathin La 0.67 Sr 0.33 MnO 3 Films [Phys. Rev. Lett. 100 , 137401 (2008)] journal, August 2009

In vacuo photoemission study of atomically controlled La 1 − x Sr x Mn O 3 thin films: Composition dependence of the electronic structure journal, April 2005

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Electron Accumulation and Emergent Magnetism in LaMnO 3 / SrTiO 3 Heterostructures journal, October 2017

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Experimental Confirmation of the X-Ray Magnetic Circular Dichroism Sum Rules for Iron and Cobalt
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Projector augmented-wave method
journal, December 1994

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Electronic structure of ${La}_{1 - x}$ ${Sr}_{x}$ ${MnO}_{3}$ studied by photoemission and x-ray-absorption spectroscopy
journal, May 1995

Electronic band redistribution probed by oxygen absorption spectra of (SrMnO $_{3}$ ) $_{n}$ (LaMnO $_{3}$ ) $_{2 n}$ superlattices
journal, March 2012

Strain induced extrinsic magnetocaloric effects in La _0.67 Sr _0.33 MnO ₃ thin films, controlled by magnetic field
journal, February 2019

Spin filtering through ferromagnetic $Bi Mn O_{3}$ tunnel barriers
journal, July 2005

Atomic‐Scale Control of Electronic Structure and Ferromagnetic Insulating State in Perovskite Oxide Superlattices by Long‐Range Tuning of BO ₆ Octahedra
journal, August 2020

Surface symmetry-breaking and strain effects on orbital occupancy in transition metal perovskite epitaxial films
journal, January 2012

The magnetic, optical, and transport properties of representatives of a class of magnetic semiconductors: The europium chalcogenides
journal, August 1986

Engineered Interface of Magnetic Oxides
journal, July 2004

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Anomalous strain effect in ${La}_{0.8} {Ba}_{0.2} {MnO}_{3}$ epitaxial thin film: Role of the orbital degree of freedom in stabilizing ferromagnetism
journal, November 2001

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
journal, September 2020

Controlled-valence properties of ${La}_{1 - x}$ ${Sr}_{x}$ ${FeO}_{3}$ and ${La}_{1 - x}$ ${Sr}_{x}$ ${MnO}_{3}$ studied by soft-x-ray absorption spectroscopy
journal, August 1992

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Synthesis and properties of the vacancy-free ${La}_{1 - x} {Ba}_{x} {MnO}_{3}$
journal, August 1998

Strain effect and the phase diagram of ${La}_{1 - x} {Ba}_{x} {MnO}_{3}$ thin films
journal, October 2001

Strain-induced high-temperature perovskite ferromagnetic insulator
journal, March 2018

CMR manganites: physics, thin films and devices
journal, April 2003

Enhanced magnetism in lightly doped manganite heterostructures: strain or stoichiometry?
journal, January 2019

Reversible Control of Physical Properties via an Oxygen-Vacancy-Driven Topotactic Transition in Epitaxial La _0.7 Sr _0.3 MnO ₃₋ _δ Thin Films
journal, December 2018

Interface Engineered Room‐Temperature Ferromagnetic Insulating State in Ultrathin Manganite Films
journal, November 2019

Erratum: Evidence of Orbital Reconstruction at Interfaces in Ultrathin ${La}_{0.67} {Sr}_{0.33} {MnO}_{3}$ Films [Phys. Rev. Lett. 100 , 137401 (2008)]
journal, August 2009

In vacuo photoemission study of atomically controlled ${La}_{1 - x} {Sr}_{x} Mn O_{3}$ thin films: Composition dependence of the electronic structure
journal, April 2005

Epitaxial (110)-oriented La_0.7Sr_0.3MnO₃ film directly on flexible mica substrate
journal, March 2022

Electron Accumulation and Emergent Magnetism in ${LaMnO}_{3} / {SrTiO}_{3}$ Heterostructures
journal, October 2017

Oxidation energies of transition metal oxides within the $GGA + U$ framework
journal, May 2006

Origin of Improved Photoelectrochemical Water Splitting in Mixed Perovskite Oxides
journal, September 2018

An optimized TEM specimen preparation method of quantum nanostructures
journal, January 2021

Interface Ferromagnetism and Orbital Reconstruction in ${BiFeO}_{3} − {La}_{0.7} {Sr}_{0.3} {MnO}_{3}$ Heterostructures
journal, July 2010

$Mn 2 p$ core-level spectra of ${La}_{1 - x} {Ba}_{x} {MnO}_{3}$ thin films using hard x-ray photoelectron spectroscopy: Relation between electronic and magnetic states
journal, September 2009

Facilitating the Deprotonation of OH to O through Fe ⁴⁺ ‐Induced States in Perovskite LaNiO ₃ Enables a Fast Oxygen Evolution Reaction
journal, March 2021

Electronic structure of strained(La0.85Ba0.15)MnO3thin films with room-temperature ferromagnetism investigated by hard x-ray photoemission spectroscopy
journal, March 2006