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Data for "Targeted Chemical Pressure Yields Tunable Millimeter-Wave Dielectric "

Published by National Institute of Standards and Technology | National Institute of Standards and Technology | Catalog Last Checked: August 02, 2025 at 02:00 PM | Dataset Last Updated: November 20, 2019
Included here are figures and other relevant data from the paper "Targeted Chemical Pressure Yields Tunable Millimeter-Wave 5G Dielectric with Unparalleled Performance" published online in Nature Materials on 23 December 2019 (https://doi.org/10.1038/s41563-019-0564-4). Abstract: Epitaxial strain can unlock enhanced properties in oxide materials but restricts substrate choice and maximum film thickness, above which lattice relaxation and property degradation occur. Here we employ a chemical alternative to epitaxial strain by providing targeted chemical pressure, distinct from random doping, to induce a ferroelectric instability with the strategic introduction of barium into today's best millimeter-wave tunable dielectric, the epitaxially strained 50 nm thick n = 6 (SrTiO3)nSrO Ruddlesden-Popper grown on (110) DyScO3. The defect mitigating nature of (SrTiO3)nSrO results in unprecedented low loss at frequencies up to 125 GHz. No barium-containing Ruddlesden-Popper titanates are known, but this atomically-engineered superlattice material, (SrTiO3)n?m(BaTiO3)mSrO, enables low-loss, tunable dielectric properties to be achieved with lower epitaxial strain and a 200 % improvement in the figure of merit at commercially-relevant millimeter-wave frequencies. As tunable dielectrics are key constituents for emerging millimeter-wave high-frequency devices in telecommunications our findings could lead to higher performance adaptive and reconfigurable electronics at these frequencies.

Resources

13 resources available

  • DOI Access for Data for "Targeted Chemical Pressure Yields Tunable Millimeter-Wave Dielectric "

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  • Figure 1: DFT files for the Ba-containing STO Ruddlesden-Popper structures

    CIF
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  • Figure 2: Data for the X-Ray Diffraction curves of the Ba-containing STO Ruddlesden-Popper films (n=2-6)

    CSV
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  • Figure 4(a): Data for the complex dielectric constant (K11) vs. frequency curves for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6

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  • Figure 3(a): Data for the dielectric constant (K11) vs. temperature curves for the Ba-containing STO Ruddlesden-Popper films from n=2-6

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  • Figure 4(b): Data for the dielectric constant tunability vs. applied bias electric field curves for the 100 nm Ba-containing STO Ruddlesden-Popper films from n=6

    CSV
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  • Figure 3(d): Data for the energy vs. total ionic distortion curves for the Ba-containing and Ba-free STO Ruddlesden-Popper films with n = 2,4,6

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  • Figure 3(b): Data for the ferroelectric transition temperature (Tc) vs. series number (n) plots for the Ba-containing STO Ruddlesden-Popper films from n=2-6

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  • Figure 4(c): Data for the figure of merit (FOM) vs. frequency curves for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6

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  • Figure 3(c): Data for the lattice parameter (a) / strain vs. series number (n) plot for the Ba-containing STO Ruddlesden-Popper films from n=2-6

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  • Figure 4(a)[inset]: Data for the loss tangent vs. frequency curve for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6

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  • Resource 13

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Complete Metadata
@type dcat:Dataset
accessLevel public
bureauCode 
[
  "006:55"
]
contactPoint 
{
  "fn": "Eric Marksz",
  "hasEmail": "mailto:eric.marksz@nist.gov"
}
description Included here are figures and other relevant data from the paper "Targeted Chemical Pressure Yields Tunable Millimeter-Wave 5G Dielectric with Unparalleled Performance" published online in Nature Materials on 23 December 2019 (https://doi.org/10.1038/s41563-019-0564-4). Abstract: Epitaxial strain can unlock enhanced properties in oxide materials but restricts substrate choice and maximum film thickness, above which lattice relaxation and property degradation occur. Here we employ a chemical alternative to epitaxial strain by providing targeted chemical pressure, distinct from random doping, to induce a ferroelectric instability with the strategic introduction of barium into today's best millimeter-wave tunable dielectric, the epitaxially strained 50 nm thick n = 6 (SrTiO3)nSrO Ruddlesden-Popper grown on (110) DyScO3. The defect mitigating nature of (SrTiO3)nSrO results in unprecedented low loss at frequencies up to 125 GHz. No barium-containing Ruddlesden-Popper titanates are known, but this atomically-engineered superlattice material, (SrTiO3)n?m(BaTiO3)mSrO, enables low-loss, tunable dielectric properties to be achieved with lower epitaxial strain and a 200 % improvement in the figure of merit at commercially-relevant millimeter-wave frequencies. As tunable dielectrics are key constituents for emerging millimeter-wave high-frequency devices in telecommunications our findings could lead to higher performance adaptive and reconfigurable electronics at these frequencies.
distribution 
[
  {
    "title": "DOI Access for Data for "Targeted Chemical Pressure Yields Tunable Millimeter-Wave Dielectric "",
    "accessURL": "https://doi.org/10.18434/M31968"
  },
  {
    "title": "Figure 1: DFT files for the Ba-containing STO Ruddlesden-Popper structures",
    "format": "CIF",
    "mediaType": "application/gzip",
    "description": "A .TGZ compressed folder containing the information necessary to reproduce the Density Functional Theory (DFT) simulations of the Ba-containing STO Ruddlesden-Popper structures. The files are included as .CIF files, for the paraelectric/ferroelectric films spanning from n=2 to n=6. Information in this folder can be extracted via archiving tools such as Gzip.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig1_DFT_BSTO_RP_structures_CIF.tgz"
  },
  {
    "title": "Figure 2: Data for the X-Ray Diffraction curves of the Ba-containing STO Ruddlesden-Popper films (n=2-6)",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the X-ray diffraction curves shown in Figure 2. These curves show the relationship between diffracted angle 2theta (deg) and detector count intensity (a.u.)  for the 50 nm Ba-containing STO Ruddlesden-Popper thin films spanning n=2 to n=6.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig2_X-ray_Diffraction_50_nm_samples.csv"
  },
  {
    "title": "Figure 4(a): Data for the complex dielectric constant (K11) vs. frequency curves for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the complex dielectric constant (K11) vs. frequency curves shown in Figure 4(a) for the Ba-containing STO Ruddlesden-Popper films from n=2-6.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig4a_Complex_permittivity_100_nm_n6.csv"
  },
  {
    "title": "Figure 3(a): Data for the dielectric constant (K11) vs. temperature curves for the Ba-containing STO Ruddlesden-Popper films from n=2-6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the dielectric constant (K11) vs. temperature curves shown in Figure 3(a) for the Ba-containing STO Ruddlesden-Popper films from n=2-6. Data is included for the 10 kHz, 100 kHz, and 1 MHz traces.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig3a_Dielectric_Const_vs_Temp_Freq_50_nm_samples.csv"
  },
  {
    "title": "Figure 4(b): Data for the dielectric constant tunability vs. applied bias electric field curves for the 100 nm  Ba-containing STO Ruddlesden-Popper films from n=6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the dielectric constant tunability vs applied bias electric field curves shown in Figure 4(b) for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6. Data is included for 5 GHz, 20 GHz, and 40 GHz traces.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig4b_Film_Tunability_100_nm_n6.csv"
  },
  {
    "title": "Figure 3(d): Data for the energy vs. total ionic distortion curves for the Ba-containing and Ba-free STO Ruddlesden-Popper films with n = 2,4,6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the energy vs. total ionic distortion curves shown in Figure 3(d) for the Ba-containing STO Ruddlesden-Popper films from n=2-6. These curves map out the "double potential well" of the materials. "Total ionic distortion" can be thought of as a proxy for polarization.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig3d_potential_well_n246.csv"
  },
  {
    "title": "Figure 3(b): Data for the ferroelectric transition temperature (Tc) vs. series number (n) plots for the Ba-containing STO Ruddlesden-Popper films from n=2-6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the ferroelectric transition temperature (Tc) vs. series number (n) plots shown in Figure 3(b) for the Ba-containing STO Ruddlesden-Popper films from n=2-6.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig3b_Tc_Comparison.csv"
  },
  {
    "title": "Figure 4(c): Data for the figure of merit (FOM) vs. frequency curves for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the figure of merit (FOM) vs. frequency curve shown in the inset of Figure 4(c) for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig4c_FOM_100_nm_n6.csv"
  },
  {
    "title": "Figure 3(c): Data for the lattice parameter (a) / strain vs. series number (n) plot for the Ba-containing STO Ruddlesden-Popper films from n=2-6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the lattice parameter (a) / strain vs. series number (n) plot shown in Figure 3(c) for the Ba-containing STO Ruddlesden-Popper films from n=2-6.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig3c_lattice_w_wo_ba.csv"
  },
  {
    "title": "Figure 4(a)[inset]: Data for the loss tangent vs. frequency curve for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6",
    "format": "CSV",
    "mediaType": "application/vnd.ms-excel",
    "description": "This CSV file contains the raw data for the loss tangent vs. frequency curves shown in the inset of Figure 4(a) for the 100 nm Ba-containing STO Ruddlesden-Popper films with n=6.",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/Fig4a_inset_Loss_tangent_100_nm_n6.csv"
  },
  {
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/README.txt"
  },
  {
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/7619E70B50E70FE5E05324570681A1921968/README.txt.sha256"
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]
identifier 7619E70B50E70FE5E05324570681A1921968
issued 2019-11-22
keyword 
[
  "5G",
  "DFT",
  "barium",
  "density functional theory",
  "deposition",
  "dielectric constant",
  "filters",
  "frequency-agile",
  "loss tangent",
  "low loss",
  "materials",
  "microwave",
  "millimeter-wave",
  "molecular beam epitaxy",
  "permittivity",
  "physical vapor",
  "resonators",
  "ruddlesden-popper",
  "strain engineering",
  "strontium",
  "superlattice",
  "targeted chemical pressure",
  "titanate",
  "tunability"
]
landingPage https://data.nist.gov/od/id/7619E70B50E70FE5E05324570681A1921968
language 
[
  "en"
]
license https://www.nist.gov/open/license
modified 2019-11-20 00:00:00
programCode 
[
  "006:045"
]
publisher 
{
  "name": "National Institute of Standards and Technology",
  "@type": "org:Organization"
}
theme 
[
  "Advanced Communications:Wireless (RF)",
  "Electronics:Electromagnetics",
  "Electronics:Optoelectronics",
  "Electronics:Thin-film electronics",
  "Materials:Ceramics",
  "Materials:Materials characterization",
  "Metrology:Electrical/electromagnetic metrology",
  "Physics:Condensed matter"
]
title Data for "Targeted Chemical Pressure Yields Tunable Millimeter-Wave Dielectric "

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