Subtopic Deep Dive
Perovskite Negative Thermal Expansion
Research Guide
What is Perovskite Negative Thermal Expansion?
Perovskite negative thermal expansion refers to the phenomenon where certain perovskite oxides, antiperovskites, and hybrid frameworks contract upon heating due to structural phase transitions and lattice distortions.
This subtopic covers giant NTE in materials like Ge-doped Mn3AN anti-perovskites (α=−25×10−6 K−1) and SrCu3Fe4O12 perovskites. Over 10 key papers since 2005 document mechanisms including charge transfer and symmetry trapping. Research links NTE to ionic conductivity via phase stability in halides like CsSnI3.
Why It Matters
Perovskite NTE enables design of zero-expansion composites for precision sensors and actuators in aerospace. Takenaka and Takagi (2005) demonstrated gigantic NTE in anti-perovskites, informing thermal management in batteries. Azuma et al. (2011) showed colossal NTE in BiNiO3 via charge transfer, impacting multifunctional oxide electronics. Yamada et al. (2011) linked SrCu3Fe4O12 NTE to Fe charge disproportionation, advancing solid oxide fuel cells with coupled thermal-ionic properties.
Key Research Challenges
Tuning NTE magnitude controllably
Achieving consistent giant NTE across wide temperatures remains difficult due to dopant sensitivity. Takenaka (2018) notes paradigm shifts in control but highlights variability in Mn3AN nitrides. Chen et al. (2013) report challenges in PbTiO3-based ferroelectrics over giant ranges.
Linking NTE to ionic conductivity
Correlating lattice contraction with ion transport in perovskites like CsSnI3 is underexplored. Da Silva et al. (2015) model phase stability but lack direct conductivity ties. Keshavarz et al. (2019) track transitions in lead-halides yet note gaps in transport data.
Stabilizing phase transitions
Hybrid improper ferroelectric mechanisms cause instability in Ruddlesden-Popper phases. Senn et al. (2015) explain symmetry trapping in Ca3Mn2O7 but stress transformation fragility. Attfield (2018) reviews mechanisms needing better thermodynamic control.
Essential Papers
Giant negative thermal expansion in Ge-doped anti-perovskite manganese nitrides
K. Takenaka, H. Takagi · 2005 · Applied Physics Letters · 612 citations
We report the discovery of a large negative thermal expansion (NTE) up to α=−25×10−6K−1 (α: coefficient of linear thermal expansion) in Ge-doped anti-perovskite manganese nitrides Mn3AN (A=Cu,Zn,Ga...
Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer
Masaki Azuma, Wei‐Tin Chen, Hayato Seki et al. · 2011 · Nature Communications · 451 citations
Progress of Research in Negative Thermal Expansion Materials: Paradigm Shift in the Control of Thermal Expansion
K. Takenaka · 2018 · Frontiers in Chemistry · 199 citations
To meet strong demands for the control of thermal expansion necessary because of the advanced development of industrial technology, widely various giant negative thermal expansion (NTE) materials h...
Colossal negative thermal expansion in reduced layered ruthenate
K. Takenaka, Yoshihiko Okamoto, Tsubasa Shinoda et al. · 2017 · Nature Communications · 188 citations
[NH<sub>2</sub>NH<sub>3</sub>][M(HCOO)<sub>3</sub>] (M = Mn<sup>2+</sup>, Zn<sup>2+</sup>, Co<sup>2+</sup>and Mg<sup>2+</sup>): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering
Sa Chen, Ran Shang, Keli Hu et al. · 2013 · Inorganic Chemistry Frontiers · 185 citations
We report here a new class of ammonium metal–formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+ and Mg2+) incorporating hydrazinium as the cationic template and component. The perovskit...
Phase stability and transformations in the halide perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CsSnI</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
Da Silva, Jonathan M. Skelton, Stephen C. Parker et al. · 2015 · Physical Review B · 176 citations
We employ the quasiharmonic approximation to study the temperature-dependent lattice dynamics of the four different phases of cesium tin iodide (CsSnI<sub>3</sub>). Within this framework, we obtain...
Giant Negative Thermal Expansion in the Iron Perovskite SrCu<sub>3</sub>Fe<sub>4</sub>O<sub>12</sub>
Ikuya Yamada, Kazuki Tsuchida, Kenya Ohgushi et al. · 2011 · Angewandte Chemie International Edition · 145 citations
Big and cold: Strong internal compression of the Sr ion in the novel perovskite SrCu3Fe4O12 (see structure) leads to giant negative thermal expansion (NTE) between 170 and 270 K. Mössbauer spectros...
Reading Guide
Foundational Papers
Start with Takenaka and Takagi (2005) for giant NTE discovery in anti-perovskites, then Azuma et al. (2011) for charge transfer in BiNiO3, and Yamada et al. (2011) for iron perovskite mechanisms.
Recent Advances
Study Takenaka (2018) for NTE control progress, Keshavarz et al. (2019) for halide perovskite transitions, and Attfield (2018) for mechanism overview.
Core Methods
Core techniques: quasiharmonic approximation for phase stability (Da Silva 2015), Mössbauer for charge disproportionation (Yamada 2011), and symmetry analysis for hybrid ferroelectrics (Senn 2015).
How PapersFlow Helps You Research Perovskite Negative Thermal Expansion
Discover & Search
PapersFlow's Research Agent uses searchPapers('perovskite negative thermal expansion') to retrieve Takenaka and Takagi (2005, 612 citations), then citationGraph to map 50+ citing works on anti-perovskites, and findSimilarPapers to uncover Ge-doping variants.
Analyze & Verify
Analysis Agent applies readPaperContent on Azuma et al. (2011) to extract charge transfer mechanisms, verifyResponse with CoVe to confirm NTE coefficients against originals, and runPythonAnalysis to plot thermal expansion data from Yamada et al. (2011) using NumPy, with GRADE scoring evidence strength.
Synthesize & Write
Synthesis Agent detects gaps in NTE-ionic conductivity links across papers, flags contradictions in phase models, while Writing Agent uses latexEditText for equations, latexSyncCitations for 10+ references, and latexCompile to generate reports with exportMermaid diagrams of lattice distortions.
Use Cases
"Plot NTE coefficients from Ge-doped anti-perovskites vs temperature"
Research Agent → searchPapers → Analysis Agent → runPythonAnalysis (NumPy/matplotlib on Takenaka 2005 data) → matplotlib plot of α=−25×10−6 K−1 curves.
"Draft LaTeX review on SrCu3Fe4O12 NTE mechanisms"
Synthesis Agent → gap detection → Writing Agent → latexEditText + latexSyncCitations (Yamada 2011) + latexCompile → compiled PDF with phase diagrams.
"Find GitHub code for perovskite phase transition simulations"
Research Agent → paperExtractUrls (Da Silva 2015) → paperFindGithubRepo → githubRepoInspect → verified LAMMPS scripts for CsSnI3 dynamics.
Automated Workflows
Deep Research workflow scans 50+ papers via searchPapers on 'perovskite NTE phase transitions', structures reports with GRADE-verified summaries from Takenaka (2018). DeepScan applies 7-step CoVe analysis to Keshavarz et al. (2019) thermal data, checkpointing expansion curves. Theorizer generates hypotheses linking NTE in BiNiO3 (Azuma 2011) to conductivity models.
Frequently Asked Questions
What defines perovskite negative thermal expansion?
Perovskite NTE is lattice contraction on heating in oxides like SrCu3Fe4O12 and anti-perovskites like Mn3AN, driven by phase transitions (Takenaka 2005; Yamada 2011).
What are key methods for inducing NTE?
Methods include Ge-doping in nitrides (Takenaka 2005), charge transfer in BiNiO3 (Azuma 2011), and symmetry trapping in Ruddlesden-Popper phases (Senn 2015).
What are the most cited papers?
Top papers: Takenaka and Takagi (2005, 612 citations) on anti-perovskites; Azuma et al. (2011, 451 citations) on BiNiO3; Yamada et al. (2011, 145 citations) on iron perovskites.
What open problems exist?
Challenges include controllable tuning over wide ranges (Takenaka 2018), NTE-conductivity coupling (Da Silva 2015), and phase stability (Attfield 2018).
Research Thermal Expansion and Ionic Conductivity with AI
PapersFlow provides specialized AI tools for Materials Science researchers. Here are the most relevant for this topic:
AI Literature Review
Automate paper discovery and synthesis across 474M+ papers
Paper Summarizer
Get structured summaries of any paper in seconds
Code & Data Discovery
Find datasets, code repositories, and computational tools
See how researchers in Engineering use PapersFlow
Field-specific workflows, example queries, and use cases.
Start Researching Perovskite Negative Thermal Expansion with AI
Search 474M+ papers, run AI-powered literature reviews, and write with integrated citations — all in one workspace.
See how PapersFlow works for Materials Science researchers