Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session W41: Halide Perovskite Interactions with Radiation |
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Sponsoring Units: DMP Chair: Ross Kerner, National Renewable Energy Laboratory; Barry Rand, Princeton University Room: Room 319 |
Thursday, March 9, 2023 3:00PM - 3:12PM |
W41.00001: Investigation of polymer controlled solution grown single crystal organic-inorganic hybrid perovskites for gamma detection applications Kaleab Ayalew, Jaeyun Moon, shea tonkinson, Maya Narayanan Kutty, Adam A Hecht, Ganesh Balakrishnan, Alexander Barzilov Recently, halide perovskite semiconductors have received due attention as promising materials for radiation detectors. The state-of-the-art room temperature radiation detectors based on CdZnTe are costly; moreover, further improvements in the size and quality of CdZnTe single crystals are restricted due to the appearance of a secondary phase during the crystal growth. Excellent optoelectronic properties of organic-inorganic halide perovskites qualify them to be low-cost and efficient alternative materials for detection of ionizing radiation. The relative ease of growing halide perovskite single crystals using a solution technique makes them attractive for future applications. We report a high-quality single crystal organic-inorganic hybrid perovskites (ScOIHP) grown through a polymer-controlled solution method. The process of detector fabrication using single crystals of CH3NH3PbBr3 (MAPbBr3) and CH(NH2)2PbBr3 (FAPbBr3) will be presented. The detector testing using photon sources will be discussed. Finally, the readiness of the as-grown crystals for industrial applications and potential ways for further improvement of ScOIHP synthesis will be discussed. |
Thursday, March 9, 2023 3:12PM - 3:24PM |
W41.00002: Impact of lattice distortions on unusual bandgap shift in organic-inorganic lead and mixed-lead-tin halide perovskites Zhixuan Bi, Haochen Zhang, Zehua Zhai, Meng Ye, Han Gao, Hairen Tan, Yong Xu, Luyi Yang Metal halide perovskites exhibit unusual bandgap shift with temperature and understanding its origin is essential in improving the thermal stability of perovskite-based photovoltaic devices. Here, we measure the temperature dependence of the bandgap in two hybrid organic-inorganic perovskite thin films (MA0.3FA0.7PbI3 and MA0.3FA0.7Pb0.5Sn0.5I3) using photoluminescence and absorbance spectroscopy. We show that the thermal expansion effect is negligible in these systems and, supported by first-principles calculations, thermally induced lattice distortions are the possible cause for their anomalous bandgap shift with temperature. We find that the static and dynamic distortions likely have opposite effects on the bandgap with temperature, as shown by the contrasting shifting trends of the bandgap in the lead and mixed-lead-tin perovskites. In addition, bandgap renormalization and band-filling effects are observed in fluence dependent photoluminescence measurements. Our study sheds new light on the thermal effects on the band structures of hybrid perovskites. |
Thursday, March 9, 2023 3:24PM - 3:36PM |
W41.00003: Temperature-Dependent Phase Stable Hybrid Halide Perovskite Films by Chemical Vapor Deposition Randy Burns, Christopher J Arendse, Suchismita Guha, Stephen Klue, Evguenia Karapetrova, Siphelo Ngqoloda Methylammonium lead iodide (MAPbI3–xClx) thin films were synthesized using chemical vapor deposition. Temperature-dependent grazing incidence synchrotron-based X-ray diffraction measurements confirm that the structure of MAPbI3–xClx, where Cl acts more like a dopant, remains throughout in the tetragonal phase in the temperature range of 20–300 K. These studies are further correlated with temperature-dependent photoluminescence (PL) studies. The PL peak energy monotonically increases with temperature, suggestive of a single-phase behavior. Resistance measurements conducted as a function of temperature show an absence of inflection points, suggesting uniformity in its phase. Between 200 and 325 K, the resistance remains a constant. |
Thursday, March 9, 2023 3:36PM - 3:48PM |
W41.00004: Effects of 10-Month Low Earth Orbit Exposure on Hybrid Perovskite Thin Film Samuel S Erickson, William Delmas, Calista Lum, Jorge Arteaga, Kyle M Crowley, Lyndsey McMillon-Brown, Timothy Peshek, Sayantani Ghosh The high defect tolerance and potential for extremely high specific power in metal-halide perovskite (MHP) solar cells makes them promising materials for space-based photovoltaics. Additionally, moisture, by far the most significant variable in perovskite degradation, is negligible outside the earth’s atmosphere. In this work, we examine the effects of low earth orbit (LEO) on a MHP sample via optical characterization. An encapsulated methylammonium lead iodide film was flown to the International Space Station as part of the 13th Materials International Space Station Experiment and exposed to the LEO environment for 10 months. The sample underwent 45 minutes of AM0 illumination and 45 minutes of darkness a total of 4800 times, resulting in thermal variation between 100° C and -100° C. The flight sample emitted a strong photoluminescence signal and showed little degradation. Our analysis suggests that severe temperature cycling had the greatest impact on the film. After 15 hours of AM1.5 illumination, the flight sample’s bandgap red-shifted to match that of its control sample. Likewise, confocal microscopy revealed a reduction in lead iodide in the flight film after light soaking. These behaviors indicate photo-annealing within the film and demonstrate that MHPs can withstand space stressors. |
Thursday, March 9, 2023 3:48PM - 4:00PM |
W41.00005: Synthesis of Inorganic Metal Halide Perovskite for Radiation Detectors Charles Han, shea tonkinson, Maya Narayanan Kutty, Adam A Hecht, Ganesh Balakrishnan, Alexander Barzilov Research to develop high-efficiency ambient temperature radiation detectors are ongoing due to the demand on measuring x-rays and gamma rays with high energy resolution and sensitivity. Materials such as CZT have complicated crystal growth conditions such as precipitates in crystals that can degrade detector performance due to electric defects that disturb photogenerated carriers hopping. The inorganic wide-bandgap perovskites such as CsPbBr3 (CBP) are promising for the crystal design with homogeneous nucleation using Bridgman method. This material has high mobility-lifetime product (10-2cm2V-1), low defect densities, and long-term stability for photon and charge particle detection. The synthesis of a CBP perovskite by means of Bridgman method was investigated including phase transformations at specific temperature points. A vertical translation mechanism was employed to transport a vacuum-sealed ampoule to grow CPB crystals. The ingot processing and surface treatment techniques will be discussed. The grown crystals were characterized using photoluminescence (room temperature and cryogenic), optical and scanning electron microscopy. We will also provide data on the compositional uniformity via XRD, EDS and SIMS techniques. Electrical characterization of the samples was performed for IV analysis. |
Thursday, March 9, 2023 4:00PM - 4:12PM |
W41.00006: Rotor Lattice Model of Ferroelectric Large Polarons Georgios Koutentakis, Areg Ghazaryan, Mikhail Lemeshko Hybrid perovskites are praised for their outstanding performance as a building block of solar cells. This stems from the long carrier lifetime and diffusion length. However, they are also notoriously complex in terms of their physical properties due to their soft (liquid-like) nature. Therefore, there is a need for tractable models able to provide a qualitative understanding of the physical processes in these materials. Here, we develop a one-dimensional rotor lattice model of charge carrier-transport, which provides an intuitive physical mechanism for the recently proposed formation of a large polaron at the ferroelectric domain boundaries of lead halide perovskites [1–3]. In particular we demonstrate that the rotor-carrier coupling introduces a local ferroelectric ordering of the rotors the range of which increases with decreasing rotational constant, implying a long-range polaron coherence at the relevant parameter regimes for metal halide perovskites. The formation of this ferroelectric domain strongly modifies the effective mass of the polaron resulting to a drastic reduction of carrier mobility consistent with experimental observations. Finally, by examining the dielectric function we identify signatures of Debye relaxation along with a series of librational resonances for the rotors in frequency regimes where their coupling to phonons might be trigger the formation of ferroelectric order [3]. Our findings provide a basic framework upon which more realistic effective models for describing the carrier dynamics in lead halide perovskites can be constructed. |
Thursday, March 9, 2023 4:12PM - 4:24PM |
W41.00007: Diffuse Neutron and X-Ray Scattering from Inorganic Halide Perovskites Matthew J Krogstad, Alex Rettie, Stephan Rosenkranz, Duck Young Chung, Mercouri G Kanatzidis, Feng Ye, Yaohua Liu, Jinsong Huang, Haotong Wei, Xing He, Tyson L Lanigan-Atkins, Olivier Delaire, Raymond Osborn Halide perovskites have enjoyed significant attention over the past several years due to their intriguing optoelectronic properties, both in hybrid organic-inorganic and pure inorganic forms. In both cases, the long carrier lifetimes underpinning these properties appear to be strongly coupled to local structure. Diffuse neutron and x-ray scattering measurements on the inorganic halide perovskites CsPbBr3, CsSnBr3, CsPbCl3, and Cs2AgBiBr6 show clear similarities in diffuse scattering, all showing a network of rods indicative of two-dimensional correlations. Neutron scattering measurements from CORELLI show that this scattering is quasi-static, consistent with an overdamped two-dimensional phonon. This static scattering can be further modelled via correlated tilts in the halide octahedron, with the octahedral tilt systems that define the low temperature structure persisting at higher temperatures in a short-range form. The commonality of this feature suggests that short-range order is a defining part of the physics in these systems. |
Thursday, March 9, 2023 4:24PM - 4:36PM |
W41.00008: Strongly anharmonic phonons in all inorganic halide perovskites Chengjie Mao Inorganic halide perovskites CsMX3 (M=Ge, Sn, Pb; X=Cl, Br, I) have attracted significant attention for their excellent performance in photovoltaic, radiation detection and thermoelectric applications. CsMX3 systems are very soft and anharmonic materials, which directly impacts electron-phonon coupling and carrier relaxation. The resulting ultralow thermal conductivity also creates potential for thermoelectric applications. CsPbBr3 has achieved 10% solar cell efficiency and outstanding radiation detection performance, with higher stability than organic-inorganic hybrids. CsSnBr3 is explored as an alternate lead free system. However, the understanding of atomic dynamics and local distortions in CsMX3 remains limited. We used inelastic neutron scattering, diffuse neutron and x-ray scattering, and first-principles simulations to investigate the strong phonon anharmonicity, 2D correlated fluctuation dynamics, and phase transitions of CsMX3 systems. Our experiments reveal how soft and anharmonic phonon modes modulate the structure of CsPbBr3 and CsSnBr3, directly impacting the electron-phonon interaction and optoelectronic properties. These results provide insights into the role of unusual atomic dynamics and short-ranged structural fluctuations in CsMX3. |
Thursday, March 9, 2023 4:36PM - 4:48PM |
W41.00009: Ab initio molecular dynamics calculations of threshold displacement energies in halide perovskites Rosty B Martinez Duque, Ian R Sellers, Ahmed R Kirmani, Mario F Borunda Ab initio molecular dynamics (AIMD) simulations have been performed for different halide perovskites to investigate their response to low-energy radiation. The threshold displacement energy (Ed) is the minimum amount of transferred kinetic energy to an atom so that it generates a stable defect in the lattice of a particular material. The Ed is a critical physical parameter for simulating non-ionizing radiation damage in materials, the primary degrader of optoelectronic properties under radiation environments. AIMD allows us to probe atoms in different lattice directions and establish the threshold Ed of the species in the halide perovskite. These efforts would allow for a better understanding of the radiation hardness of materials. |
Thursday, March 9, 2023 4:48PM - 5:00PM |
W41.00010: Magneto-Optical Properties of Methylammonium Lead Iodide Perovskite Thin Films in the Orthorhombic domain Maria F Munoz, Angela R Hight Walker, He Wang, Xinwen Zhang Hybrid lead halide perovskites have opened a new era for photovoltaics research over the last decade due to their high energy conversion energy. These materials are promising for future electronics and optoelectronics and applications in spin-electronic devices due to their unique properties, such as high coherent emission, spin-orbit coupling, and strong light-matter interaction [1]. Recent experimental and theoretical studies have shown that the polar organic cations affect the lattice polarization, giving rise to a ferroelectric behavior and enhancing their photovoltaic performance [2]. Furthermore, magnetism in halide perovskite at room temperature has been confirmed, suggesting a route toward spintronics applications based on magneto-optical perovskites [3-4]. However, the hybrid perovskites' magnetic properties are not well understood. Our work reports magneto-photoluminescence (MPL) and magneto-Raman (MR) measurements of methylammonium lead iodide CH3NH3PbI3 (MAPbI3) ~ 280 nm thin film materials at low temperatures (<60 K), where the crystalline structure is in the orthorhombic domain. We obtained different MPL spectra from random spots on the sample surface and fitted them with gaussian curves at 55 K and 1.6 K. The MPL spectra confirm the existence of a dual emission peak at a low temperature, consistent with previous works [5]. For each spot, we applied a magnetic field up to 9T in the perpendicular direction of the surface and analyzed the MPL plots as a function of the external magnetic field. Changes in the intensity, the central position, and the FWHM of the gaussian components were observed in the MPL spectra. We also compare the response of the thin film at room temperature (tetragonal domain) under the external magnetic field to the low temperature data. |
Thursday, March 9, 2023 5:00PM - 5:12PM |
W41.00011: Manipulation of chirality dependent nonlinear optical effect in 2D halide perovskite under light-matter strong coupling DAICHI OKADA, Fumito Araoka The introduction of chirality into organic–inorganic hybrid perovskites is expected to achieve excellent optoelectronic and spintronic applications, correlated with circular polarized light. Owing to the existence of asymmetric center and induced intrinsic chirality in the chiral perovskite, chirality dependent second harmonic generation (SHG), so-called CD (circular dichroism)SHG, is observed. It’s applicable for future signal processing and discrimination of light polarization. So far, CDSHG in several types of chiral perovskite is reported. However, all reports are about single crystalline sample. In that case, crystal anisotropy would also be related to CDSHG. |
Thursday, March 9, 2023 5:12PM - 5:24PM |
W41.00012: Strong coupling of carriers to acoustic phonons in bismuth perovskite Cs3Bi2I9 revealed by optical transient reflectivity and ultrafast electron diffraction Ding-Shyue Yang, Xing He In this talk, we present the electronic and structural dynamics of bismuth-based perovskite Cs3Bi2I9. A cross-examination of the experimental results from time-resolved optical and diffraction measurements combined with theoretical analyses allows the identification of the major carrier–phonon coupling mechanism and the associated time scales. It is found that carriers photoinjected into Cs3Bi2I9 form self-trapped excitons on an ultrafast time scale. However, most of their energy is retained and their coupling to Fröhlich-type optical phonons is limited at initial times. The long-lived excitons exert an electronic stress via deformation potential and develop a prominent, sustaining strain field as coherent acoustic phonons in 10 ps. From sub-ps to ns and beyond, a similar extent of the atomic displacements is found throughout the different stages of structural distortions, from limited local modulations to a coherent strain field to the Debye–Waller random atomic motions on longer times. The current results suggest the potential use of bismuth-based perovskites for applications other than photovoltaics to take advantage of carriers’ stronger self-trapping and long lifetime. |
Thursday, March 9, 2023 5:24PM - 5:36PM |
W41.00013: Temperature dependent angle-resolved photoemission and x-ray diffraction of CsPbBr3 Oliver Rader, Maryam Sajedi, Maxim Krivenkov, Dmitry Marchenko, Jaime Sánchez-Barriga, Andrei Varykhalov, Daniel Toebbens, Thomas Unold, Saleem Khan, Ján Minár CsPbBr3 shares the high efficiency in light harvesting with hybrid organic-inorganic lead halide perovskites. Angle-resolved photoemission of the valence band has so far only shown bands of the cubic structure at room temperature although the system is orthorhombic below about 360 K. We demonstrate weak orthorhombic features in the band structure at 300 K which become very pronounced at low temperature, including an extra valence band maximum at Γ. We perform temperature depedent x-ray diffraction and compare the angle-resolved photoemission data to density functional theory calculations based on the x-ray diffraction. After having recently clarified the absence of a Rashba splitting and large polarons in angle resolved photoemission data [1,2], we will attempt to draw conclusions from angle resolved photoemission concerning aspects relevant for the high efficiency of lead halide perovskites. |
Thursday, March 9, 2023 5:36PM - 5:48PM |
W41.00014: High Magnetic Field Spectroscopy of 2D Hybrid Organic Inorganic Perovskites Daniel Nikiforov, Heshan W Hewawalpitage, Valy Z Vardeny We have studied films of two-dimensional (2D) hybrid organic inorganic perovskites (2D-HOIP) using magneto-circular-dichroism (MCD), magneto-electro-absorption (MEA) and field-induced circularly polarized (FICPO) emission at high magnetic fields (up to 25 Tesla) at liquid-He temperature. Particular attention was given to the exciton fine structure in these materials including the exciton substate energy splitting and the Landé g-values. We found evidence for a dark exciton substate at the bottom of the exciton manifold having negative effective g-factor. We also studied the Landau levels related to the continuum bands in these materials from which we determined the energy gap and effective charge currier mass. |
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