journal article·2026-06-09

Enhancing Thermal Conductivity Switching in a Bulk Ferroelectric by Defect Engineering

Fanghao Zhang, Guanchun Rui, Yujie Quan, Shantal Adajian, Matthew Delmont, Q. M. Zhang, Bolin Liao

Chemistry of Materials· Volume 38· Issue 11
Publisher page

Abstract

Abstract Active thermal management requires thermal switching materials whose thermal conductivity can be efficiently controlled by external stimuli. Ferroelectrics are proven to be a promising platform for electric-field control of heat conduction, yet the intrinsic switching mechanisms in bulk single crystals and the role of defects remain less explored. Here, we demonstrate enhanced electric-field-induced thermal conductivity switching in bulk single-crystalline BaTiO3 at room temperature through defect engineering. Using a customized steady-state platform with in situ fields up to ±10 kV/cm, we observe a conductivity modulation of up to 35% in fresh BaTiO3 driven by polarization reorientation and domain restructuring. First-principles finite-temperature lattice dynamics calculations show that the switching originates from anisotropic phonon transport linked to domain configurations rather than strain-induced effects. We further find that ambient and thermal aging enhance the switching contrast, which may arise from the defect dipole alignment that modifies phonon-defect scattering. These results establish defect engineering as a promising strategy for enhancing thermal conductivity switching in bulk ferroelectrics and provide an experimental platform for exploring electric-field-controlled thermal transport.
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Research context

OpenAlex topics: Ferroelectric and Piezoelectric Materials · Ferroelectric and Negative Capacitance Devices · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

University of California, Santa Barbara , , , ,

The Pennsylvania State University , , , ,

Arkema Inc. , 900 First Avenue , , ,

Funding

Office of Naval Research

References (55)

Show source-provided references
1. Liquid-Infused Nanostructured Composite as a High-Performance Thermal Interface Material for Effective Cooling10.1038/s41467-025-56163-8 ↗
2. High-Efficiency Cooling via the Monolithic Integration of Copper on Electronic Devices10.1038/s41928-022-00748-4 ↗
3. Thermal Diodes, Regulators, and Switches: Physical Mechanisms and Potential Applications10.1063/1.5001072 ↗
4. Transforming Heat Transfer with Thermal Metamaterials and Devices10.1038/s41578-021-00283-2 ↗
5. Spin-Dependent Thermal Transport Perpendicular to the Planes of Co/Cu Multilayers10.1103/PhysRevB.91.144405 ↗
6. Magnetic Thermal Switch for Heat Management at the Nanoscale10.1103/PhysRevB.91.205420 ↗
7. Transverse Magnetic Heat Transport on the Surface of a Topological Insulator10.1103/PhysRevB.83.161407 ↗
8. Heat Switch Effect in an Antiferromagnetic Insulator Co3V2O810.1063/1.4953790 ↗
9. Room-Temperature Magnetic Thermal Switching by Suppressing Phonon-Magnon Scattering10.1103/PhysRevB.109.184411 ↗
10. Bidirectional Tuning of Thermal Transport in SrCoOx with Electrochemically Induced Phase Transitions10.1038/s41563-020-0612-0 ↗
11. An Electrochemical Thermal Transistor10.1038/s41467-018-06760-7 ↗
12. Tuning Thermal Conductivity in Molybdenum Disulfide by Electrochemical Intercalation10.1038/ncomms13211 ↗
13. Light-Triggered Thermal Conductivity Switching in Azobenzene Polymers10.1073/pnas.1817082116 ↗
14. High-Throughput Search for Photostrictive Materials Based on a Thermodynamic Descriptor10.1021/jacs.4c11484 ↗
15. Thermal Conductivity of Materials under Pressure10.1038/s42254-022-00423-9 ↗
16. Anomalous Thermal Transport under High Pressure in Boron Arsenide10.1038/s41586-022-05381-x ↗
17. In-Plane Thermal Conductivity Measurements of Si Thin Films under a Uniaxial Tensile Strain10.1063/5.0125422 ↗
18. Room-Temperature Voltage-Tunable Phonon Thermal Conductivity via Reconfigurable Interfaces in Ferroelectric Thin Films10.1021/nl504505t ↗
19. Electric-Field-Controlled Thermal Switch in Ferroelectric Materials Using First-Principles Calculations and Domain-Wall Engineering10.1103/PhysRevApplied.11.044002 ↗
20. Observation of Solid-State Bidirectional Thermal Conductivity Switching in Antiferroelectric Lead Zirconate PbZrO310.1038/s41467-022-29023-y ↗
21. Low-Voltage-Driven High-Performance Thermal Switching in Antiferroelectric PbZrO3Thin Films10.1126/science.adj9669 ↗
22. Electric-Field-Dependent Phonon Spectrum and Heat Conduction in Ferroelectrics10.1126/sciadv.add7194 ↗
23. Electric Field-Dependent Thermal Conductivity of Relaxor Ferroelectric PMN-33PT through Changes in the Phonon Spectrum10.1039/D4MH01845A ↗
24. Ferroelectric Polarization Modulated Thermal Conductivity in Barium Titanate Ceramic10.1021/acsami.2c12388 ↗
25. Large Thermal Conductivity Switch Ratio in Barium Titanate Under Electric Field through First-Principles Calculation10.1002/adts.201800098 ↗
26. Analysis of Heat Flow in Layered Structures for Time-Domain Thermoreflectance10.1063/1.1819431 ↗
27. Pulse Accumulation, Radial Heat Conduction, and Anisotropic Thermal Conductivity in Pump-Probe Transient Thermoreflectance10.1063/1.3006335 ↗
28. Blending Poly(3-hexylthiophene) for Controlled Thermal Conductivity10.1021/acsmaterialslett.3c00709 ↗
29. Thermal Conductivity of Boron Arsenide above 2100 W per Meter per Kelvin at Room Temperature10.1016/j.mattod.2025.09.021 ↗
30. Temperature-Dependent Effective Third-Order Interatomic Force Constants from First Principles10.1103/PhysRevB.88.144301 ↗
31. Lattice Dynamics of Anharmonic Solids from First Principles10.1103/PhysRevB.84.180301 ↗
32. Ab Initio Molecular Dynamics for Liquid Metals10.1103/PhysRevB.47.558 ↗
33. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors using a Plane-Wave Basis Set10.1016/0927-0256(96)00008-0 ↗
34. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations using a Plane-Wave Basis Set10.1103/PhysRevB.54.11169 ↗
35. Projector Augmented-Wave Method10.1103/PhysRevB.50.17953 ↗
36. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
37. Twinning in Ferroelectric and Ferroelastic Ceramics: Stress Relief10.1007/BF00584864 ↗
38. Lead-Free Room-Temperature Ferroelectric Thermal Conductivity Switch Using Anisotropies in Thermal Conductivities10.1103/PhysRevMaterials.8.094403 ↗
39. Phonon Transport in Barium Titanate10.1016/0031-8914(71)90164-9 ↗
40. Thickness-Dependent Thermal Conductivity and Phonon Mean Free Path Distribution in Single-Crystalline Barium Titanate10.1002/advs.202301273 ↗
41. Thermal Conductivity of BaTiO3 and SrTiO3 from 4.5 to 300 K10.1143/JPSJ.20.174 ↗
42. The Thermal Conductivity of BaTiO3 in the Neighbourhood of Its Ferroelectric Transition Temperatures10.1016/0375-9601(67)90729-3 ↗
43. Thermal Conductivity of Perovskite Ferroelectrics10.1063/1.2978072 ↗
44. Field-Induced Strain in Single-Crystal BaTiO310.1111/j.1151-2916.1988.tb05909.x ↗
45. Hysteresis Behaviors of Barium Titanate Single Crystals Based on the Operation of Multiple 90 Switching Systems10.1016/j.mseb.2008.11.046 ↗
46. Large Electrostrictive Actuation of Barium Titanate Single Crystals10.1016/j.jmps.2003.08.001 ↗
47. Mechanisms of Aging and Fatigue in Ferroelectrics10.1016/j.mseb.2014.10.003 ↗
48. Crystalline Structure, Defect Chemistry, and Room-Temperature Colossal Permittivity of Nd-Doped Barium Titanate10.1038/srep42274 ↗
49. Stabilization Effect in Ferroelectric Materials During Aging in Ferroelectric State10.1063/1.2084343 ↗
50. Oxygen Vacancies in Semiconducting BaTiO3-Based Ferroelectrics: Electron Doping, History Dependence of Tc, and Domain Wall Pinning10.1103/PhysRevB.111.054112 ↗
51. Large Electric-Field-Induced Strain in Ferroelectric Crystals by Point-Defect-Mediated Reversible Domain Switching10.1038/nmat1051 ↗
52. Giant Electrostrain in Lead-Free Textured Piezoceramics by Defect Dipole Design10.1002/adma.202300519 ↗
53. Decoding the Fingerprint of Ferroelectric Loops: Comprehension of the Material Properties and Structures10.1111/jace.12773 ↗
54. Raman Scattering Intensities in BaTiO3 and PbTiO3 Prototypical Ferroelectrics from Density Functional Theory10.1088/0953-8984/21/21/215901 ↗
55. Aging Behavior in Single-Domain Mn-Doped BaTiO3 Crystals: Implication for a Unified Microscopic Explanation of Ferroelectric Aging10.1103/PhysRevB.73.094121 ↗