This readme.txt file was generated on 20221216 by John Dewey Recommended citation for the data: Chaturvedi, Vipul; Ghosh, Supriya; Gautreau, Dominique; Postiglione, William M; Dewey, John E; Quarterman, Patrick; Balakrishnan, Purnima P; Kirby, Brian J; Zhou, Hua; Cheng, Huikai; Huon, Amanda; Fitzsimmons, Michael R; Korostynski, Caroline; Jacobson, Andrew; Figari, Lucca; Barriocanal, Javier G; Birol, Turan; Mkhoyan, K Andre; Leighton, Chris. (2022). Data for Room-Temperature Valence Transition in a Strain-Tuned Perovskite Oxide. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/7wff-1y61. ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Data forRoom-Temperature Valence Transition in a Strain-Tuned Perovskite Oxide 2. Author Information Principal Investigator Contact Information Name: Chris Leighton Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: leighton@umn.edu ORCID ID: 0000-0003-2492-0816 Associate or Co-investigator Contact Information Name: Vipul Chaturvedi Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: chatu013@umn.edu ORCID ID: Associate or Co-investigator Contact Information Name: Supriya Ghosh Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: ghosh115@umn.edu ORCID ID: Associate or Co-investigator Contact Information Name: Dominique Gautreau Institution: School of Physics and Astronomy Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: gautr004@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: William M. Postiglione Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: post0127@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: John E. Dewey Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA" Email: dewe0048@umn.edu ORCID ID: 0000-0002-8024-9783 Associate or Co-investigator Contact Information Name: Patrick Quarterman Institution: NIST Center for Neutron Research Address: National Institute of Standards and Technology, Gaithersburg, Maryland 60439, USA Email: patrick.quarterman@gmail.com ORCID ID Associate or Co-investigator Contact Information Name: Purnima P. Balakrishnan Institution: NIST Center for Neutron Research Address: National Institute of Standards and Technology, Gaithersburg, Maryland 60439, USA Email: purnima.balakrishnan@nist.gov ORCID ID Associate or Co-investigator Contact Information Name: Brian J. Kirby Institution: NIST Center for Neutron Research Address: National Institute of Standards and Technology, Gaithersburg, Maryland 60439, USA" Email: brian.kirby@nist.gov ORCID ID Associate or Co-investigator Contact Information Name: Hua Zhou Institution: Advanced Photon Source Address: Argonne National Laboratory, Lemont, Illinois 60439, USA Email: hzhou@anl.gov ORCID ID Associate or Co-investigator Contact Information Name: Huikai Cheng Institution: Thermo Fisher Scientific Address: Hillsboro, Oregon 97124, USA Email: huikai.cheng@thermofisher.com ORCID ID Associate or Co-investigator Contact Information Name: Amanda Huon Institution: Neutron Scattering Division Address: Oak Ridge National Lab, Oak Ridge, Tennessee 37830, USA Email: Amanda.huon@gmail.com ORCID ID Associate or Co-investigator Contact Information Name: Timothy Charlton Institution: Neutron Scattering Division Address: Oak Ridge National Lab, Oak Ridge, Tennessee 37830, USA Email: charltontr@ornl.gov ORCID ID Associate or Co-investigator Contact Information Name: Michael R. Fitzsimmons Institution: Neutron Scattering Division Address: Oak Ridge National Lab, Oak Ridge, Tennessee 37830, USA Email: fitzsimmonsm@ornl.gov ORCID ID Associate or Co-investigator Contact Information Name: Caroline Korostynski Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: koros009@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: Andrew Jacobson Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: jaco2112@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: Lucca Figari Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: figar009@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: Javier Garcia Barriocanal Institution: Characterization Facility Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: Javigb@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: Turan Birol Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: tbirol@umn.edu ORCID ID Associate or Co-investigator Contact Information Name: K. Andre Mkhoyan Institution: Department of Chemical Engineering and Materials Science Address: University of Minnesota, Minneapolis, Minnesota 55455, USA Email: mkhoyan@umn.edu 3. Date published or finalized for release: December 15, 2022 (20221215) 4. Date of data collection (single date, range, approximate date): 20200701-20220915 5. Geographic location of data collection (where was data collected?): University of Minnesota, Twin Cities 6. Information about funding sources that supported the collection of the data: Work at the University of Minnesota (UMN) was primarily funded by the Department of Energy (DOE) through the UMN Center for Quantum Materials under Grant Number DE-SC0016371 (CL). Electron microscopy by SG and KAM was supported by the National Science Foundation (NSF) through the UMN MRSEC under DMR-2011401 (KAM). Parts of the work were performed in the Characterization Facility, UMN, which receives partial support from the NSF through the MRSEC and NNCI programs. Part of this work also used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Aspects of this work additionally used resources of the Advanced Photon Source, a DOE Office of Science User Facility operated by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. 7. Overview of the data (abstract): Cobalt oxides have long been understood to display intriguing phenomena known as spin-state crossovers, where the cobalt ion spin changes vs. temperature, pressure, etc. A very different situation was recently uncovered in praseodymium-containing cobalt oxides, where a first-order coupled spin-state/structural/metal-insulator transition occurs, driven by a remarkable praseodymium valence transition. Such valence transitions, particularly when triggering spin-state and metal-insulator transitions, offer highly appealing functionality, but have thus far been confined to cryogenic temperatures in bulk materials (e.g., 90 K in Pr1-xCaxCoO3). Here, we show that in thin films of the complex perovskite (Pr1-yYy)1-xCaxCoO3-delta, heteroepitaxial strain tuning enables stabilization of valence-driven spin-state/structural/metal-insulator transitions to at least 291 K, i.e., around room temperature. This dataset contains all digital data published in the Nature Communications paper of the same name. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: Creative Commons Attribution 4.0 International license - https://creativecommons.org/licenses/by/4.0/ 2. Links to publications that cite or use the data: https://doi.org/10.1038/s41467-022-35024-8 https://arxiv.org/abs/2112.10917 3. Was data derived from another source? No 4. Terms of Use: Data Repository for the U of Minnesota (DRUM) By using these files, users agree to the Terms of Use. https://conservancy.umn.edu/pages/drum/policies/#terms-of-use --------------------- DATA & FILE OVERVIEW --------------------- Figure1.zip A. Filename: Figure 1 (a-f) WAXRD Short description: Wide angle X-ray diffraction data for PYCCO (x = 0.3, y = 0.15) on six substrates B. Filename: Figure 1 (g) RSM Short description: X-ray reciprocal space map data for PYCCO (x = 0.3, y = 0.15) on YAlO3 C. Filename: Figure 1 (h) RSM Short description: X-ray reciprocal space map data for PYCCO (x = 0.3, y = 0.15) on LSAT D. Filename: Figure 1 (i) Strain plot Short description: Out-of-plane vs. in-plane strain data for PYCCO (x = 0.3, y = 0.15) on six substrates Figure2 E. Filename: Figure 2 (e-f) HAADF and EDX Short description: HAADF intensity and atomic composition (via EDX) vs position for PYCCO (x = 0.3, y = 0.15) on two substrates Figure3.zip F. Filename: Figure 3 (a-d) Resistivity vs T Short description: Resistivity vs. temperature for PYCCO (x = 0.3, y = 0.15) on four substrates and in bulk G. Filename: Figure 3 (e-h) Magnetization vs T Short description: Magnetization vs. temperature for PYCCO (x = 0.3, y = 0.15) on four substrates, field cooled, H = 100 Oe Figure4.zip H. Filename: Figure 4 (a-b) PNR and Spin Asymmetry Short description: Polarized neutron reflectivity for PYCCO (x = 0.3, y = 0.15) on LSAT, and PNR spin asymmetry for PYCCO (x = 0.3, y = 0.15) on two substrates, T = 5 K, H = 30 kOe I. Filename: Figure 4 (c) PNR fit Density and Magnetization Short description: Polarized neutron reflectivity-derived depth profile of density and magnetization for PYCCO (x = 0.3, y = 0.15) on LSAT, T = 5 K, H = 30 kOe J. Filename: Figure 4 (d) SQUID magnetometry Short description: Magnetization vs applied field (H) for PYCCO (x = 0.3, y = 0.15) on LSAT, T = 5 K Figure5.zip K. Filename: Figure 5 (a) SXRD vs T Short description: Synchrotron X-ray diffraction data vs. temperature for PYCCO (x = 0.3, y = 0.15) on YAlO3 L. Filename: Figure 5 (b) STEM EELS vs T Short description: Electron energy loss spectra (EELS) near the O K-edge pre-peak region vs. temperature for PYCCO (x = 0.3, y = 0.15) on YAlO3 M. Filename: Figure 5 (c-d) T dependent parameters combined plot Short description: Unit cell volume, resistivity, O K pre-peak shift (EELS), and O K pre-edge intensity (EELS) vs. temperature for PYCCO (x = 0.3, y = 0.15) on YAlO3 Figure6.zip N. Filename: Figure 6 (a) Strain phase diagram and DFT results vs strain Short description: Critical temperatures (Tvt, Tc) vs. in-plane strain for PYCCO (x = 0.3, y = 0.15) bulk and on six substrates, and DFT results vs. in-plane strain for PCCO (x = 0.5) Figure7.zip O. Filename: Figure 7 (a) Tvt vs Y fraction Short description: Valence transition temperature vs. Y fraction of perovskite A-site for PYCCO (various x, y) P. Filename: Figure 7 (b) Resistivity vs T Short description: Resistivity vs. temperature for PYCCO (x = 0.3, y = 0.15) (x = 0.3, y = 0.25) bulk and on YAlO3 Q. Filename: Figure 7 (c) T dependent resistivity and Vuc Short description: Resistivity and unit cell volume vs. temperature for PYCCO (x = 0.3, y = 0.25) on YAlO3 2. Relationship between files: Separated by publication figure and panel. -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: See corresponding publication in Nature Communications: https://doi.org/10.1038/s41467-022-35024-8 See corresponding publication: https://arxiv.org/abs/2112.10917 2. Methods for processing the data: See corresponding publication in Nature Communications: https://doi.org/10.1038/s41467-022-35024-8 See corresponding publication: https://arxiv.org/abs/2112.10917 3. Instrument- or software-specific information needed to interpret the data: 4. Standards and calibration information, if appropriate: 5. Environmental/experimental conditions: See corresponding publication in Nature Communications: https://doi.org/10.1038/s41467-022-35024-8 See corresponding publication: https://arxiv.org/abs/2112.10917 6. Describe any quality-assurance procedures performed on the data: 7. People involved with sample collection, processing, analysis and/or submission: ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 1 (a-f) WAXRD ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: YAO_2theta(deg) Description: WAXRD 2-theta angle (degrees) for YAO | PYCCO B. Name: YAO_Intensity(arb_units) Description: "WAXRD intensity (log 10, arb. Units) for YAO | PYCCO" C. Name: SLAO_2theta(deg) Description: WAXRD 2-theta angle (degrees) for SLAO | PYCCO D. Name: SLAO_Intensity(arb_units) Description: "WAXRD intensity (log 10, arb. Units) for SLAO | PYCCO" E. Name: LAO_2theta(deg) Description: WAXRD 2-theta angle (degrees) for LAO | PYCCO F. Name: LAO_Intensity(arb_units) Description: "WAXRD intensity (log 10, arb. Units) for LAO | PYCCO" G. Name: SLGO_2theta(deg) Description: WAXRD 2-theta angle (degrees) for SLGO | PYCCO H. Name: SLGO_Intensity(arb_units) Description: "WAXRD intensity (log 10, arb. Units) for SLGO | PYCCO" I. Name: LSAT_2theta(deg) Description: WAXRD 2-theta angle (degrees) for LSAT | PYCCO J. Name: LSAT_Intensity(arb_units) Description: "WAXRD intensity (log 10, arb. Units) for LSAT | PYCCO" K. Name: STO_2theta(deg) Description: WAXRD 2-theta angle (degrees) for STO | PYCCO L. Name: STO_Intensity(arb_units) Description: "WAXRD intensity (log 10, arb. Units) for STO | PYCCO" ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 1 (g) RSM ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: YAO_H(r_l_u) Description: In-plane scattering vector in reciprocal lattice units of YAlO3 for YAO | PYCCO B. Name: YAO_L(r_l_u) Description: Out-of-plane scattering vector in reciprocal lattice units of YAlO3 for YAO | PYCCO C. Name: YAO_Int(arb_units) Description: X-ray diffracted intensity for YAO | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 1 (h) RSM ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: LSAT_H(r_l_u) Description: In-plane scattering vector in reciprocal lattice units of YAlO3 for LSAT | PYCCO B. Name: LSAT_L(r_l_u) Description: Out-of-plane scattering vector in reciprocal lattice units of YAlO3 for LSAT | PYCCO C. Name: LSAT_Int(arb_units) Description: X-ray diffracted intensity for LSAT | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 1 (i) Strain plot ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: IP_strain(%) Description: In-plane strain for PYCCO films B. Name: OOP_strain(%) Description: Out-of-plane strain for PYCCO films ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 2 (e-f) HAADF and EDX ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: YAO_HAADF_x(nm) Description: HAADF lateral position for YAO | PYCCO B. Name: YAO_HAADF_Intensity(arb. units) Description: HAADF intensity for YAO | PYCCO C. Name: YAO_EDX_x(nm) Description: EDX lateral position for YAO | PYCCO D. Name: YAO_EDXConc_Pr(norm. at%) Description: EDX-derived concentration of Pr for YAO | PYCCO E. Name: YAO_EDXConc_Ca(norm. at%) Description: EDX-derived concentration of Ca for YAO | PYCCO F. Name: YAO_EDXConc_Y(norm. at%) Description: EDX-derived concentration of Y for YAO | PYCCO G. Name: LAO_HAADF_x(nm) Description: HAADF lateral position for LAO | PYCCO H. Name: LAO_HAADF_Intensity(arb. units) Description: HAADF intensity for LAO | PYCCO I. Name: LAO_EDX_x(nm) Description: EDX lateral position for LAO | PYCCO J. Name: LAO_EDXConc_Pr(norm. at%) Description: EDX-derived concentration of Pr for LAO | PYCCO K. Name: LAO_EDXConc_Ca(norm. at%) Description: EDX-derived concentration of Ca for LAO | PYCCO L. Name: LAO_EDXConc_Y(norm. at%) Description: EDX-derived concentration of Y for LAO | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 3 (a-d) Resistivity vs T ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: Bulk_T(K) Description: Temperature for bulk PYCCO B. Name: Bulk_rho(ohm.cm) Description: Resistivity for bulk PYCCO C. Name: YAO_T(K) Description: Temperature for YAO | PYCCO D. Name: YAO_rho(ohm.cm) Description: Resistivity for YAO | PYCCO E. Name: SLAO_T(K) Description: Temperature for SLAO | PYCCO F. Name: SLAO_rho(ohm.cm) Description: Resistivity for SLAO | PYCCO G. Name: LAO_T(K) Description: Temperature for LAO | PYCCO H. Name: LAO_rho(ohm.cm) Description: Resistivity for LAO | PYCCO I. Name: LSAT_T(K) Description: Temperature for LSAT | PYCCO J. Name: LSAT_rho(ohm.cm) Description: Resistivity for LSAT | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 3 (e-h) Magnetization vs T ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: YAO_T(K) Description: Temperature for YAO | PYCCO B. Name: YAO_M(Bohr_magneton/Co_atom) Description: Magnetization for YAO | PYCCO C. Name: SLAO_T(K) Description: Temperature for SLAO | PYCCO D. Name: SLAO_M(Bohr_magneton/Co_atom) Description: Magnetization for SLAO | PYCCO E. Name: LAO_T(K) Description: Temperature for LAO | PYCCO F. Name: LAO_M(Bohr_magneton/Co_atom) Description: Magnetization for LAO | PYCCO G. Name: LSAT_T(K) Description: Temperature for LSAT | PYCCO H. Name: LSAT_M(Bohr_magneton/Co_atom) Description: Magnetization for LSAT | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 4 (a-b) PNR and Spin Asymmetry ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: Refl_Q(Ang^-1) Description: Scattering vector for LSAT | PYCCO B. Name: Refl_R++(normalized) Description: PNR R++ intensity for LSAT | PYCCO C. Name: Refl_R++_err(normalized) Description: PNR R++ intensity error for LSAT | PYCCO D. Name: Refl_R--(normalized) Description: PNR R-- intensity for LSAT | PYCCO E. Name: Refl_R--_err(normalized) Description: PNR R-- intensity error for LSAT | PYCCO F. Name: Refl_R++_fit(normalized) Description: PNR R++ intensity simulation fit for LSAT | PYCCO G. Name: Refl_R--_fit(normalized) Description: PNR R-- intensity simulation fit for LSAT | PYCCO H. Name: Refl_spin_asym() Description: PNR spin asymmetry for LSAT | PYCCO I. Name: Refl_spin_asym_err() Description: PNR spin asymmetry error for LSAT | PYCCO J. Name: Refl_spin_asym_fit() Description: PNR spin asymmetry simulation fit for LSAT | PYCCO K. Name: YAO_Refl_Q(Ang^-1) Description: Scattering vector for YAO | PYCCO L. Name: YAO_Refl_spin_asym() Description: PNR spin asymmetry for YAO | PYCCO M. Name: YAO_Refl_spin_asym_err() Description: PNR spin asymmetry error for YAO | PYCCO N. Name: YAO_Refl_spin_asym_fit() Description: PNR spin asymmetry simulation fit for YAO | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 4 (c) PNR fit Density and Magnetization ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: PNR_z(Ang) Description: Depth for PNR depth profile for LSAT | PYCCO B. Name: PNR_rho_nuc(10^-6.Ang^-2) Description: PNR depth profile density for LSAT | PYCCO C. Name: PNR_M(Bohr_magneton/Co_atom) Description: PNR R++ intensity error for LSAT | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 4 (d) SQUID magnetometry ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: SQUID_H(Oe) Description: SQUID applied field for LSAT | PYCCO B. Name: SQUID_M(Bohr_magneton/Co_atom) Description: SQUID magnetization for LSAT | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 5 (a) SXRD vs T ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: 2theta_130 Description: SXRD 2-theta angle (degrees) for YAO | PYCCO at T = 130 K B. Name: Intensity_130 Description: SXRD intensity (arb. units) for YAO | PYCCO at T = 130 K C. Name: 2theta_140 Description: SXRD 2-theta angle (degrees) for YAO | PYCCO at T = 140 K D. Name: Intensity_140 Description: SXRD intensity (arb. units) for YAO | PYCCO at T = 140 K E. Name: (Et cetera) Description: The above pattern repeats for temperatures up to 320 K ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 5 (b) STEM EELS vs T ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: Energy(eV) Description: EELS energy for YAO | PYCCO B. Name: Intensity_300K Description: "EELS intensity for YAO | PYCCO, T = 300 K" C. Name: Intensity_253K Description: "EELS intensity for YAO | PYCCO, T = 253 K" D. Name: Intensity_223K Description: "EELS intensity for YAO | PYCCO, T = 223 K" E. Name: Intensity_173K Description: "EELS intensity for YAO | PYCCO, T = 173 K" F. Name: Intensity_153K Description: "EELS intensity for YAO | PYCCO, T = 153 K" ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 5 (c-d) T dependent parameters combined plot ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: T_Vuc(K) Description: "Temperature (K), unit cell volume plot, for YAO | PYCCO" B. Name: Vuc(Ang^3) Description: Unit cell volume for YAO | PYCCO C. Name: T_rho(K) Description: "Temperature (K), resistivity plot, for YAO | PYCCO" D. Name: Rho(ohm.cm) Description: Resistivity for YAO | PYCCO E. Name: T_EELS(K) Description: "Temperature (K), EELS plot, for YAO | PYCCO" F. Name: EELS_O_K_Shift(eV) Description: EELS-derived O K pre peak shift for YAO | PYCCO G. Name: EELS_O_K_Intensity(eV) Description: EELS-derived O K pre peak intensity for YAO | PYCCO ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 6 (a) Strain phase diagram ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: IP_Strain(%) Description: In-plane epitaxial strain for PYCCO on several substrates B. Name: Bulk_Tvt(K) Description: Valence transition temperature for PYCCO (bulk) C. Name: Film_Tvt(K) Description: Valence transition temperature for PYCCO (films) D. Name: Film_Tc(K) Description: Ferromagnetic Curie temperature for PYCCO (films) E. Name: DFT_E_Diff(meV/formula_unit) Description: "DFT-simulated difference in energy between high- and low-unit-cell-volume states, for PCCO (x = 0.5)" F. Name: DFT_Eg(eV) Description: "DFT-simulated energy gap, for PCCO (x = 0.5)" ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 7 (a) Tvt vs Y fraction ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: x25_Y_frac() Description: "Perovskite A-site fraction Y for (x = 0.25) PYCCO, bulk" B. Name: x25_Tvt(K) Description: "Valence transition temperature for (x = 0.25) PYCCO, bulk" C. Name: x25_Tvt_w(K) Description: "Valence transition half-width for (x = 0.25) PYCCO, bulk" D. Name: x30_Y_frac() Description: "Perovskite A-site fraction Y for (x = 0.3) PYCCO, bulk" E. Name: x30_Tvt(K) Description: "Valence transition temperature for (x = 0.3) PYCCO, bulk" F. Name: x30_Tvt_w(K) Description: "Valence transition half-width for (x = 0.3) PYCCO, bulk" G. Name: x40_Y_frac() Description: "Perovskite A-site fraction Y for (x = 0.4) PYCCO, bulk" H. Name: x40_Tvt(K) Description: "Valence transition temperature for (x = 0.4) PYCCO, bulk" I. Name: x40_Tvt_w(K) Description: "Valence transition half-width for (x = 0.4) PYCCO, bulk" ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 7 (b) Resistivity vs T ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: T_x30y15_bulk(K) Description: "Temperature for PYCCO (x = 0.3, y = 0.15), bulk" B. Name: Rho_x30y15_bulk(K) Description: "Resistivity for PYCCO (x = 0.3, y = 0.15), bulk" C. Name: T_x30y15_film(K) Description: "Temperature for PYCCO (x = 0.3, y = 0.15), film on YAO" D. Name: Rho_x30y15_film(K) Description: "Resistivity for PYCCO (x = 0.3, y = 0.15), film on YAO" E. Name: T_x30y25_bulk(K) Description: "Temperature for PYCCO (x = 0.3, y = 0.25), bulk" F. Name: Rho_x30y25_bulk(K) Description: "Resistivity for PYCCO (x = 0.3, y = 0.25), bulk" G. Name: T_x30y25_film(K) Description: "Temperature for PYCCO (x = 0.3, y = 0.25), film on YAO" H. Name: Rho_x30y25_film(K) Description: "Resistivity for PYCCO (x = 0.3, y = 0.25), film on YAO" ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Figure 7 (c) T dependent resistivity and Vuc ----------------------------------------- 1. Number of variables: 2. Number of cases/rows: 3. Missing data codes: 4. Variable List A. Name: T_Vuc(K) Description: "Temperature for PYCCO (x = 0.3, y = 0.25), film on YAO, unit cell volume plot" B. Name: Vuc(Ang^3) Description: "Unit cell volume for PYCCO (x = 0.3, y = 0.25), film on YAO" C. Name: T_rho(K) Description: "Temperature for PYCCO (x = 0.3, y = 0.25), film on YAO, resistivity plot" D. Name: Rho(ohm.cm) Description: "Resistivity for PYCCO (x = 0.3, y = 0.25), film on YAO"