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Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Finite‐Temperature Dynamics in Cesium Lead Iodide Halide Perovskite
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The Impact of Phase Retention on the Structural and Optoelectronic Properties of Metal Halide Perovskites
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Mutual Insight on Ferroelectrics and Hybrid Halide Perovskites: A Platform for Future Multifunctional Energy Conversion
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A Systematic Review of Metal Halide Perovskite Crystallization and Film Formation Mechanism Unveiled by In Situ GIWAXS
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Diverging Expressions of Anharmonicity in Halide Perovskites
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Stability of Metal Halide Perovskite Solar Cells
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Quantifying the Likelihood of Structural Models through a Dynamically Enhanced Powder X‐Ray Diffraction Protocol
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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
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Effect of the damping function in dispersion corrected density functional theory
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Solar cell efficiency tables (version 57)
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New Phase Transitions Driven by Soft Phonon Modes for CsPbBr3: Density Functional Theory Study
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Methodologies toward Highly Efficient Perovskite Solar Cells
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Broadly tunable metal halide perovskites for solid-state light-emission applications
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First principles phonon calculations in materials science
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Phase transitions and crystal dynamics in the cubic perovskite CH3NH3PbCl3
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Making and Breaking of Lead Halide Perovskites
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Accurately Determining the Phase Transition Temperature of CsPbI 3 via Random-Phase Approximation Calculations and Phase-Transferable Machine Learning Potentials
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High-Efficiency Perovskite Solar Cells
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Understanding Degradation Mechanisms and Improving Stability of Perovskite Photovoltaics
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Mechanical Properties from Periodic Plane Wave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework
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Critical Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulations
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Elucidating the Vibrational Fingerprint of the Flexible Metal–Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach
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Simultaneous Triplet Exciton–Phonon and Exciton–Photon Photoluminescence in the Individual Weak Confinement CsPbBr3 Micro/Nanowires
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Phonon Mode Transformation Across the Orthohombic–Tetragonal Phase Transition in a Lead Iodide Perovskite CH3NH3PbI3: A Terahertz Time-Domain Spectroscopy Approach
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Structural Instabilities Related to Highly Anharmonic Phonons in Halide Perovskites
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Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX 3 and CsPbX 3 (X = F, Cl, Br, I)
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Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite
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Polar Fluctuations in Metal Halide Perovskites Uncovered by Acoustic Phonon Anomalies
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Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI 3 by Theory and Experiment
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Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals
inferredcites →https://doi.org/10.1021/acsnano.8b00267openalex-snapshot
Anharmonicity and Disorder in the Black Phases of Cesium Lead Iodide Used for Stable Inorganic Perovskite Solar Cells
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Crystal Growth of the Perovskite Semiconductor CsPbBr 3 : A New Material for High-Energy Radiation Detection
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Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
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Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
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All-Inorganic Perovskite Solar Cells
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Steric engineering of metal-halide perovskites with tunable optical band gaps
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The emergence of perovskite solar cells
inferredcites →https://doi.org/10.1038/s41427-019-0170-6openalex-snapshot
Dual phases of crystalline and electronic structures in the nanocrystalline perovskite CsPbBr3
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Addressing the stability issue of perovskite solar cells for commercial applications
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Dynamic emission Stokes shift and liquid-like dielectric solvation of band edge carriers in lead-halide perovskites
inferredcites →https://doi.org/10.1038/s41467-021-26192-0openalex-snapshot
Fröhlich interaction dominated by a single phonon mode in CsPbBr3
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An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films
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Entropy in halide perovskites
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Metal halide perovskites for light-emitting diodes
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Two-dimensional overdamped fluctuations of the soft perovskite lattice in CsPbBr3
inferredcites →https://doi.org/10.1038/s41586-021-03406-5openalex-snapshot
Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells
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Computing vibrational spectra from ab initio molecular dynamics
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Structural and optical properties of methylammonium lead iodide across the tetragonal to cubic phase transition: implications for perovskite solar cells
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Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
inferredcites →https://doi.org/10.1039/c5ta06398aopenalex-snapshot
Inorganic caesium lead iodide perovskite solar cells
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Metal halide perovskites: stability and sensing-ability
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Phase transitions, screening and dielectric response of CsPbBr 3
inferredcites →https://doi.org/10.1039/d1ma00288kopenalex-snapshot
Metal cation s lone-pairs increase octahedral tilting instabilities in halide perovskites
inferredcites →https://doi.org/10.1039/d2ta01678hopenalex-snapshot
Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions
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Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
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Nosé–Hoover chains: The canonical ensemble via continuous dynamics
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Constant pressure molecular dynamics algorithms
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Significant phonon anharmonicity drives phase transitions in CsPbI3
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A hybrid Gaussian and plane wave density functional scheme
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Recent progress on metal halide perovskite field-effect transistors
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Metal halide perovskite photodetectors: Material features and device engineering
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The physical significance of imaginary phonon modes in crystals
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Anharmonic lattice dynamics in large thermodynamic ensembles with machine-learning force fields: CsPbBr3 , a phonon liquid with Cs rattlers
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Special points for Brillouin-zone integrations
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Ab initio molecular dynamics for liquid metals
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Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Separable dual-space Gaussian pseudopotentials
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Phase stability and transformations in the halide perovskite CsSnI 3
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From soft harmonic phonons to fast relaxational dynamics in CH3NH3PbBr3
inferredcites →https://doi.org/10.1103/physrevb.92.144308openalex-snapshot
Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
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Anharmonic stabilization and band gap renormalization in the perovskite CsSnI3
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Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory
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Dynamic symmetry breaking and spin splitting in metal halide perovskites
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Low-energy paths for octahedral tilting in inorganic halide perovskites
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Phonon Quasiparticles and Anharmonic Free Energy in Complex Systems
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Local Polar Fluctuations in Lead Halide Perovskite Crystals
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Generalized Gradient Approximation Made Simple
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Temperature Dependence of a Transverse Optic Mode in Strontium Titanate
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Interplay between organic cations and inorganic framework and incommensurability in hybrid lead-halide perovskite CH 3 NH 3 PbBr 3
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Common acoustic phonon lifetimes in inorganic and hybrid lead halide perovskites
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Finite-temperature simulation of anharmonicity and octahedral tilting transitions in halide perovskites
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Elucidating the atomistic origin of anharmonicity in tetragonal CH 3 NH 3 PbI 3 with Raman scattering
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FOX, `free objects for crystallography': a modular approach toab initiostructure determination from powder diffraction
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Promises and challenges of perovskite solar cells
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Thermal unequilibrium of strained black CsPbI 3 thin films
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DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers

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