TY - GEN
T1 - Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells
AU - Marronnier, Arthur
AU - Roma, Guido
AU - Boyer-Richard, Soline
AU - Pedesseau, Laurent
AU - Jancu, Jean Marc
AU - Bonnassieux, Van
AU - Katan, Claudine
AU - Stoumpos, Constantinos C.
AU - Kanatzidis, Mercouri G.
AU - Even, Jacky
N1 - Publisher Copyright:
© 2018 IEEE.
PY - 2018/11/26
Y1 - 2018/11/26
N2 - Hybrid perovskite materials have emerged over the past five years as absorber layers for new high-efficiency yet low-cost solar cells (PSCs) that combine the advantages of organic and inorganic semiconductors. Here, employing the linear response (DFPT) approach of Density Functional Theory (DFT) and frozen phonon calculations, we reveal strong anharmonic effects in the inorganic CsPbI3 perovskite. We also show through high resolution in-situ synchrotron XRD measurements that CsPbI3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Among the four phases of CsPbI3, we found that this phase is the only one to behave harmonically around equilibrium. Last, we explain the Rashba effect in these materials as a consequence of the symmetry breaking induced by the double-well instabilities.
AB - Hybrid perovskite materials have emerged over the past five years as absorber layers for new high-efficiency yet low-cost solar cells (PSCs) that combine the advantages of organic and inorganic semiconductors. Here, employing the linear response (DFPT) approach of Density Functional Theory (DFT) and frozen phonon calculations, we reveal strong anharmonic effects in the inorganic CsPbI3 perovskite. We also show through high resolution in-situ synchrotron XRD measurements that CsPbI3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Among the four phases of CsPbI3, we found that this phase is the only one to behave harmonically around equilibrium. Last, we explain the Rashba effect in these materials as a consequence of the symmetry breaking induced by the double-well instabilities.
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U2 - 10.1109/PVSC.2018.8547769
DO - 10.1109/PVSC.2018.8547769
M3 - Conference contribution
AN - SCOPUS:85059898994
T3 - 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC
SP - 1715
EP - 1717
BT - 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 7th IEEE World Conference on Photovoltaic Energy Conversion, WCPEC 2018
Y2 - 10 June 2018 through 15 June 2018
ER -