Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

Belianinov, Alex; Panchapakesan, G.; Lin, Wenzhi; Sales, Brian C.; Sefat, Athena Safa; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.

doi:10.1063/1.4902996

Title: Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

Abstract

In this paper, atomic level spatial variability of electronic structure in Fe-based superconductor FeTe_0.55Se_0.45 (T_c = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe_1-x Se_x structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. Finally, this approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.

Authors:

Belianinov, Alex ^[1]; Panchapakesan, G. ^[1]; Lin, Wenzhi ^[1]; Sales, Brian C. ^[1]; Sefat, Athena Safa ^[1]; Jesse, Stephen ^[1]; Pan, Minghu ^[1]; Kalinin, Sergei V. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Tue Dec 02 00:00:00 EST 2014

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

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

OSTI Identifier:: 1265676

Alternate Identifier(s):: OSTI ID: 1286693

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: APL Materials

Additional Journal Information:: Journal Volume: 2; Journal Issue: 12; Journal ID: ISSN 2166-532X

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; multivariate statistics; superconductors; STM

Citation Formats


                    Belianinov, Alex, Panchapakesan, G., Lin, Wenzhi, Sales, Brian C., Sefat, Athena Safa, Jesse, Stephen, Pan, Minghu, and Kalinin, Sergei V. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis.  United States: N. p., 2014. 
Web.  doi:10.1063/1.4902996.

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                    Belianinov, Alex, Panchapakesan, G., Lin, Wenzhi, Sales, Brian C., Sefat, Athena Safa, Jesse, Stephen, Pan, Minghu, & Kalinin, Sergei V. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis.  United States.  https://doi.org/10.1063/1.4902996

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                    Belianinov, Alex, Panchapakesan, G., Lin, Wenzhi, Sales, Brian C., Sefat, Athena Safa, Jesse, Stephen, Pan, Minghu, and Kalinin, Sergei V. Tue .  
"Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis".  United States.  https://doi.org/10.1063/1.4902996.  https://www.osti.gov/servlets/purl/1265676.

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@article{osti_1265676,

  title        = {Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis},

  author       = {Belianinov, Alex and Panchapakesan, G. and Lin, Wenzhi and Sales, Brian C. and Sefat, Athena Safa and Jesse, Stephen and Pan, Minghu and Kalinin, Sergei V.},

  abstractNote = {In this paper, atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1-x Sex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. Finally, this approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.},

  doi          = {10.1063/1.4902996},

  journal      = {APL Materials},

  number       = 12,

  volume       = 2,

  place        = {United States},

  year         = {Tue Dec 02 00:00:00 EST 2014},

  month        = {Tue Dec 02 00:00:00 EST 2014}

}

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Big Data Analytics for Scanning Transmission Electron Microscopy Ptychography
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Title: Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

Abstract

Citation Formats

Growth conditions, structure and superconductivity of pure and metal-doped FeTe 1 − x Se x single crystals journal, April 2011

Generalized Gradient Approximation Made Simple journal, October 1996

Principal component and spatial correlation analysis of spectroscopic-imaging data in scanning probe microscopy journal, February 2009

Current imaging tunneling spectroscopy of metallic deposits on silicon journal, July 1992

Visualizing nanoscale electronic band alignment at the La 2 / 3 Ca 1 / 3 MnO 3 / Nb : SrTiO 3 interface journal, July 2010

Imaging the granular structure of high-Tc superconductivity in underdoped Bi2Sr2CaCu2O8+δ journal, January 2002

7 × 7 Reconstruction on Si(111) Resolved in Real Space journal, January 1983

Direct evidence of mesoscopic dynamic heterogeneities at the surfaces of ergodic ferroelectric relaxors journal, February 2010

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Doping dependence of the spin excitations in the Fe-based superconductors Fe 1 + y Te 1 − x Se x journal, June 2013

Topological surface states protected from backscattering by chiral spin texture journal, August 2009

Mapping chemical and bonding information using multivariate analysis of electron energy-loss spectrum images journal, October 2006

Theory of the scanning tunneling microscope journal, January 1985

Algorithm AS 136: A K-Means Clustering Algorithm journal, January 1979

Arsenic-rich GaAs(0 0 1) surface structure journal, December 2005

Unusual Relationship between Magnetism and Superconductivity in FeTe 0.5 Se 0.5 journal, May 2010

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

Electronic structure of Fe 1.04 Te 0.66 Se 0.34 journal, January 2010

Direct Probe of Interplay between Local Structure and Superconductivity in FeTe 0.55 Se 0.45 journal, March 2013

Magnetic behavior of Fe(Se,Te) systems: First-principles calculations journal, August 2011

Local crystallography analysis for atomically resolved scanning tunneling microscopy images journal, September 2013

Bulk superconductivity at 14 K in single crystals of Fe 1 + y Te x Se 1 − x journal, March 2009

Nanoscale chemical phase separation in FeTe 0.55 Se 0.45 as seen via scanning tunneling spectroscopy journal, June 2011

Experimental test of quantum nonlocality in three-photon Greenberger–Horne–Zeilinger entanglement journal, February 2000

Local Ordering in the Pseudogap State of the High-Tc Superconductor Bi2Sr2CaCu2O8+ journal, March 2004

Big Data Analytics for Scanning Transmission Electron Microscopy Ptychography journal, May 2016

Smart machine learning or discovering meaningful physical and chemical contributions through dimensional stacking journal, August 2019

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G-mode magnetic force microscopy: Separating magnetic and electrostatic interactions using big data analytics journal, May 2016

Big Data Analytics for Scanning Transmission Electron Microscopy Ptychography journal, May 2016

Machine learning-based multidomain processing for texture-based image segmentation and analysis journal, January 2020

Growth conditions, structure and superconductivity of pure and metal-doped FeTe _{1 − x} Se _x single crystals
journal, April 2011

Generalized Gradient Approximation Made Simple
journal, October 1996

Principal component and spatial correlation analysis of spectroscopic-imaging data in scanning probe microscopy
journal, February 2009

Current imaging tunneling spectroscopy of metallic deposits on silicon
journal, July 1992

Visualizing nanoscale electronic band alignment at the ${La}_{2 / 3} {Ca}_{1 / 3} {MnO}_{3} / Nb : {SrTiO}_{3}$ interface
journal, July 2010

Imaging the granular structure of high-Tc superconductivity in underdoped Bi2Sr2CaCu2O8+δ
journal, January 2002

7 × 7 Reconstruction on Si(111) Resolved in Real Space
journal, January 1983

Direct evidence of mesoscopic dynamic heterogeneities at the surfaces of ergodic ferroelectric relaxors
journal, February 2010

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Doping dependence of the spin excitations in the Fe-based superconductors Fe $_{1 + y}$ Te $_{1 - x}$ Se $_{x}$
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Topological surface states protected from backscattering by chiral spin texture
journal, August 2009

Mapping chemical and bonding information using multivariate analysis of electron energy-loss spectrum images
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Theory of the scanning tunneling microscope
journal, January 1985

Algorithm AS 136: A K-Means Clustering Algorithm
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Arsenic-rich GaAs(0 0 1) surface structure
journal, December 2005

Unusual Relationship between Magnetism and Superconductivity in ${FeTe}_{0.5} {Se}_{0.5}$
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journal, July 2010

Electronic structure of ${Fe}_{1.04} {Te}_{0.66} {Se}_{0.34}$
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Direct Probe of Interplay between Local Structure and Superconductivity in FeTe _0.55 Se _0.45
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Nanoscale chemical phase separation in FeTe $_{0.55}$ Se $_{0.45}$ as seen via scanning tunneling spectroscopy
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