DFT-based insight into finite-temperature properties of ferroelectric perovskites with lone-pair: the case of CsGeX$_3$ (X=Cl, Br, I)
Fuente:
arXiv
Guardado en:
| Autores principales: | Kashikar, Ravi, Lisenkov, S., Ponomareva, I. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Large electrically and chemically tunable Rashba-Dresselhaus effects in Ferroelectric CsGeX$_3$ (X=Cl, Br, I) perovskites
por: Popoola, Abduljelili, et al.
Publicado: (2024)
por: Popoola, Abduljelili, et al.
Publicado: (2024)
Theory of ultrathin ferroelectrics: the case of CsGeBr$_3$
por: Kashikar, Ravi, et al.
Publicado: (2024)
por: Kashikar, Ravi, et al.
Publicado: (2024)
Ferroelectric phases and phase transitions in CsGeBr$_3$ induced by mechanical load
por: Townsend, Joshua, et al.
Publicado: (2024)
por: Townsend, Joshua, et al.
Publicado: (2024)
Emergence of polar monoclinic phase in heterohalogen substituted CsGeX$_3$
por: Vairat, Sourabh, et al.
Publicado: (2026)
por: Vairat, Sourabh, et al.
Publicado: (2026)
Giant Spin Splitting and its Origin in Methylhydrazinium Lead Halide Perovskites
por: Maity, Nikhilesh, et al.
Publicado: (2024)
por: Maity, Nikhilesh, et al.
Publicado: (2024)
Domain Walls and Defects in Ferroelectric Inorganic Halide Perovskites CsGeX$_3$ (X = Cl, Br, I)
por: Eggestad, Kristoffer, et al.
Publicado: (2025)
por: Eggestad, Kristoffer, et al.
Publicado: (2025)
Coupling of structure and magnetism to spin splitting in hybrid organic-inorganic perovskites
por: Kashikar, Ravi, et al.
Publicado: (2023)
por: Kashikar, Ravi, et al.
Publicado: (2023)
Optoelectronic properties and performance optimization for photovoltaic applications of R3m-RbGeX$_3$ (X = Cl, Br, I) perovskites: A combined DFT and SCAPS-1D study
por: Dash, Piyush Kumar, et al.
Publicado: (2025)
por: Dash, Piyush Kumar, et al.
Publicado: (2025)
Theoretical investigations of electronic and optical properties of double perovskite Cs$_2$Tl$BX_6$ ($B=$ Bi, In; $X=$ Cl, Br, I) for photovoltaic application
por: Ardimas, et al.
Publicado: (2025)
por: Ardimas, et al.
Publicado: (2025)
Modulation of electronic and piezoelectric properties of lead-free halide perovskites LiSnX$_3$ (X = Cl, Br, and I) under applied pressure
por: Lalengmawia, Celestine, et al.
Publicado: (2024)
por: Lalengmawia, Celestine, et al.
Publicado: (2024)
DFT mediated X2AuYZ6 (X= Cs, Rb; Z= Cl, Br, I) double Perovskites for photovoltaic and wasted heat management device applications
por: Mahmud, S., et al.
Publicado: (2024)
por: Mahmud, S., et al.
Publicado: (2024)
Temperature-dependent photoluminescence dynamics of CsPbBr$_3$ and CsPb(Cl,Br)$_3$ perovskite nanocrystals in a glass matrix
por: Kulebyakina, Evgeniya V., et al.
Publicado: (2023)
por: Kulebyakina, Evgeniya V., et al.
Publicado: (2023)
Dielectric softening in the halide double perovskites $A_2$Au$_2X_6$ ($A$: Cs, Rb; $X$: Cl, Br, I) via a strain-mediated pseudotriggered mechanism
por: Dey, Urmimala, et al.
Publicado: (2025)
por: Dey, Urmimala, et al.
Publicado: (2025)
Relaxation approach to quantum-mechanical modeling of ferroelectric and antiferroelectric phase transitions
por: Maity, Nikhilesh, et al.
Publicado: (2025)
por: Maity, Nikhilesh, et al.
Publicado: (2025)
Inverted band gap trend through octahedral ordering in Cs$_2$Au$_2$X$_6$ (X=Cl, Br, I)
por: Morita, Kazuki, et al.
Publicado: (2024)
por: Morita, Kazuki, et al.
Publicado: (2024)
First-principles study of structural, electronic and optical properties of non-toxic RbBaX$_3$ (X = F, Cl, Br, I) perovskites under hydrostatic pressure
por: Saha, Pranti, et al.
Publicado: (2024)
por: Saha, Pranti, et al.
Publicado: (2024)
First-Principles Study Lead-Free Halide Double Perovskite Cs2RhAgX6 and Cs2IrAgX6 (X = Cl, Br and I)
por: Kuai, Yue, et al.
Publicado: (2024)
por: Kuai, Yue, et al.
Publicado: (2024)
Synergistic effect of the electronic band delocalization and bond anharmonicity on the thermoelectric performance of Cs2TeX6(X=Cl, Br, I)
por: Heena, et al.
Publicado: (2026)
por: Heena, et al.
Publicado: (2026)
Mixed-halide perovskite alloys $\text{CsPb}(\text{I}_{1-x}^{}\text{Br}_x^{})_3^{}$ and $\text{CsPb}(\text{Br}_{1-x}^{}\text{Cl}_x^{})_3^{}$: New insight of configuration entropy effect from first principles and phase diagrams
por: Pan, Fang, et al.
Publicado: (2024)
por: Pan, Fang, et al.
Publicado: (2024)
Electronic Energy Scales of Cr$X_3$ ($X$ = Cl, Br, and I) using High-resolution X-ray Scattering
por: Pathiraja, Chamini S., et al.
Publicado: (2025)
por: Pathiraja, Chamini S., et al.
Publicado: (2025)
Achieving Near‐Unity Photoluminescence Quantum Yield in Lead‐Free Cerium (III) Halides Cs 3 CeX 6 (X = Cl, Br, I) for Multifunctional Applications
por: Lin Shi, et al.
Publicado: (2025)
por: Lin Shi, et al.
Publicado: (2025)
External-field-induced altermagnetism in experimentally synthesized monolayer $\mathrm{CrX_3}$ (X=Cl, Br and I)
por: Guo, San-Dong
Publicado: (2025)
por: Guo, San-Dong
Publicado: (2025)
Tailoring the Optoelectronic, Photocatalytic, Thermoelectric and Thermodynamic Properties of Halides Li2InBiX6 (X = Cl, Br, I) for Energy Conversion: A DFT Study
por: Alburaih, Huda A., et al.
Publicado: (2026)
por: Alburaih, Huda A., et al.
Publicado: (2026)
Near‐Unity PLQY of Cs₃Cu₂X₅ (X = Cl, Br) for High‐Efficiency White Light‐Emitting Diodes with Exceptional Color Quality
por: Yanmei Chen, et al.
Publicado: (2025)
por: Yanmei Chen, et al.
Publicado: (2025)
Spectroscopic ellipsometry of CsPbCl${_3}$ perovskite thin films
por: Khan, Sana, et al.
Publicado: (2024)
por: Khan, Sana, et al.
Publicado: (2024)
The role of primary and secondary electrons in scanning transmission electron microscopy of hybrid perovskites: the CsPbBr$_{3}$ case
por: Trevisanutto, P. E., et al.
Publicado: (2024)
por: Trevisanutto, P. E., et al.
Publicado: (2024)
Enhanced piezoelectric response at nanoscale vortex structures in ferroelectrics
por: Shi, Xiaowen, et al.
Publicado: (2023)
por: Shi, Xiaowen, et al.
Publicado: (2023)
Impact of anharmonicity on the carrier mobility of the Pb-free CsSnBr$_3$ perovskite
por: Yin, Junwen, et al.
Publicado: (2025)
por: Yin, Junwen, et al.
Publicado: (2025)
Pressure induced semiconductor to metal phase transition in CsSnBr3 perovskite
por: Hossain, Md. Sajib, et al.
Publicado: (2021)
por: Hossain, Md. Sajib, et al.
Publicado: (2021)
Revealing the free energy landscape of halide perovskites: Metastability and transition characters in CsPbBr$_3$ and MAPbI$_3$
por: Fransson, Erik, et al.
Publicado: (2023)
por: Fransson, Erik, et al.
Publicado: (2023)
Dynamical stability and multifunctional properties of Ni2+/Pr3+ co-doped CsPbCl3 perovskite: insights from first-principles lattice dynamics and carrier transport
por: Azam, Sikander, et al.
Publicado: (2026)
por: Azam, Sikander, et al.
Publicado: (2026)
Integration of promising piezoelectric and photocatalytic properties in Janus In$XY$ ($X$ = S, Se, Te; $Y$ = Cl, Br, I) monolayers and their heterojunctions
por: Liu, Xinyue, et al.
Publicado: (2025)
por: Liu, Xinyue, et al.
Publicado: (2025)
Noncollinear electric dipoles in a polar, chiral phase of CsSnBr$_3$ perovskite
por: Fabini, Douglas H., et al.
Publicado: (2024)
por: Fabini, Douglas H., et al.
Publicado: (2024)
Electronic and optical properties of the thio-apatites phases Ba$_5$(VS$_α$O$_β$)$_3$X [X=Cl, F, Br, I]: impact of multiple anionic substitution
por: Sen, Smritijit, et al.
Publicado: (2025)
por: Sen, Smritijit, et al.
Publicado: (2025)
Ferroelectricity at the extreme thickness limit in the archetypal antiferroelectric PbZrO$_3$
por: Maity, Nikhilesh, et al.
Publicado: (2024)
por: Maity, Nikhilesh, et al.
Publicado: (2024)
Spin-dependent Raman and Brillouin light scattering on excitons in CsPbBr$_3$ perovskite crystals
por: Kalitukha, Ina V., et al.
Publicado: (2026)
por: Kalitukha, Ina V., et al.
Publicado: (2026)
Out‐Of‐Phase Articulation Strategy of CsPbBr3/CsPb2Br5 Perovskite for High Sensitivity X‐Ray Detection
por: Changmao Wan, et al.
Publicado: (2024)
por: Changmao Wan, et al.
Publicado: (2024)
DFT based insights into elastic, thermophysical, electronic and optical properties of topological insulators XTe5 (X = Zr, Hf)
por: Mahin, Syed Shovon Mahbub, et al.
Publicado: (2025)
por: Mahin, Syed Shovon Mahbub, et al.
Publicado: (2025)
Comprehensive numerical analysis of doping controlled efficiency in lead free Cs(SnGe)I3 perovskites solar cell
por: Hasan, Nazmul, et al.
Publicado: (2025)
por: Hasan, Nazmul, et al.
Publicado: (2025)
Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
por: Yin, Yuqing, et al.
Publicado: (2025)
por: Yin, Yuqing, et al.
Publicado: (2025)
Ejemplares similares
-
Large electrically and chemically tunable Rashba-Dresselhaus effects in Ferroelectric CsGeX$_3$ (X=Cl, Br, I) perovskites
por: Popoola, Abduljelili, et al.
Publicado: (2024) -
Theory of ultrathin ferroelectrics: the case of CsGeBr$_3$
por: Kashikar, Ravi, et al.
Publicado: (2024) -
Ferroelectric phases and phase transitions in CsGeBr$_3$ induced by mechanical load
por: Townsend, Joshua, et al.
Publicado: (2024) -
Emergence of polar monoclinic phase in heterohalogen substituted CsGeX$_3$
por: Vairat, Sourabh, et al.
Publicado: (2026) -
Giant Spin Splitting and its Origin in Methylhydrazinium Lead Halide Perovskites
por: Maity, Nikhilesh, et al.
Publicado: (2024)