Lattice dynamics of quasi-2D perovskites from first-principles
Fuente:
arXiv
Saved in:
| Main Authors: | Chen, Emily Y., Monserrat, Bartomeu |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Charge order through crystallization of Frenkel excitons: realization in kagome metals
by: Jiang, Ruoshi, et al.
Published: (2025)
by: Jiang, Ruoshi, et al.
Published: (2025)
Microscopic Theory of Superionic Phase Transitions: Nonadiabatic Dynamics and Many-Body Effects
by: Hu, Jiaming, et al.
Published: (2026)
by: Hu, Jiaming, et al.
Published: (2026)
Dynamical stability and multifunctional properties of Ni2+/Pr3+ co-doped CsPbCl3 perovskite: insights from first-principles lattice dynamics and carrier transport
by: Azam, Sikander, et al.
Published: (2026)
by: Azam, Sikander, et al.
Published: (2026)
Nonuniform grids for Brillouin zone integration and interpolation
by: Chen, Siyu, et al.
Published: (2022)
by: Chen, Siyu, et al.
Published: (2022)
Exciton thermalization dynamics in monolayer MoS2: a first-principles Boltzmann equation study
by: Chan, Yang-hao, et al.
Published: (2024)
by: Chan, Yang-hao, et al.
Published: (2024)
Origin of competing charge density waves in kagome metal ScV$_6$Sn$_6$
by: Wang, Kang, et al.
Published: (2024)
by: Wang, Kang, et al.
Published: (2024)
High-chirality and multiquaternion Weyl nodes in hexagonal ReO$_3$
by: Chen, Siyu, et al.
Published: (2023)
by: Chen, Siyu, et al.
Published: (2023)
Temperature effects in topological insulators of transition metal dichalcogenide monolayers
by: Chen, Siyu, et al.
Published: (2023)
by: Chen, Siyu, et al.
Published: (2023)
Photogalvanic currents from first-principles real-time density-matrix dynamics
by: Yu, Junting, et al.
Published: (2026)
by: Yu, Junting, et al.
Published: (2026)
Overestimation of melting temperatures calculated by first-principles molecular dynamics simulations
by: Shirai, Koun, et al.
Published: (2024)
by: Shirai, Koun, et al.
Published: (2024)
Magnon-phonon interactions from first principles
by: Le, Khoa B., et al.
Published: (2025)
by: Le, Khoa B., et al.
Published: (2025)
High-throughput superconducting $T_{\mathrm{c}}$ predictions through density of states rescaling
by: Bozier, Kieran, et al.
Published: (2025)
by: Bozier, Kieran, et al.
Published: (2025)
Ti substitution on Fe sites significantly changes the electronic properties of orthorhombic LaFeO3 perovskites (A first-principles study)
by: Situmeang, Jesaya, et al.
Published: (2024)
by: Situmeang, Jesaya, et al.
Published: (2024)
Accelerating first-principles molecular-dynamics thermal conductivity calculations for complex systems
by: Wieser, Sandro, et al.
Published: (2025)
by: Wieser, Sandro, et al.
Published: (2025)
Electron mobility in AlN from first principles
by: Wang, Amanda, et al.
Published: (2025)
by: Wang, Amanda, et al.
Published: (2025)
Photophysics of defect-passivated quasi-2D (PEA)2PbBr4 perovskite using an organic small-molecule
by: Khan, Jafar I., et al.
Published: (2024)
by: Khan, Jafar I., et al.
Published: (2024)
Electron mobility of SnO2 from first principles
by: Wang, Amanda, et al.
Published: (2024)
by: Wang, Amanda, et al.
Published: (2024)
Manipulation and braiding of Weyl nodes using symmetry-constrained phase transitions
by: Chen, Siyu, et al.
Published: (2021)
by: Chen, Siyu, et al.
Published: (2021)
Colloidal quasi-2D Cs2AgBiBr6 double perovskite nanosheets: synthesis and application as high-performance photodetectors
by: Kyesmen, Pannan I., et al.
Published: (2025)
by: Kyesmen, Pannan I., et al.
Published: (2025)
Towards high-performance photodetectors based on quasi-2D Ruddlesden-Popper mixed-n perovskite nanomaterials
by: S, Brindhu Malani, et al.
Published: (2024)
by: S, Brindhu Malani, et al.
Published: (2024)
Perspective on 2D perovskite ferroelectrics and multiferroics
by: Zhang, Junting, et al.
Published: (2024)
by: Zhang, Junting, et al.
Published: (2024)
Electronic structure of molybdenene from first principles
by: Shekaari, Ashkan, et al.
Published: (2024)
by: Shekaari, Ashkan, et al.
Published: (2024)
Robustness of Floquet topological phase at room temperature: a first-principles dynamics study
by: Zhou, Ruiyi, et al.
Published: (2025)
by: Zhou, Ruiyi, et al.
Published: (2025)
Phonon-assisted photoluminescence of bilayer MoS$_2$ from first principles
by: Kafle, Gyanu P., et al.
Published: (2025)
by: Kafle, Gyanu P., et al.
Published: (2025)
Exploring the structural, electronic, magnetic, and magneto-optical properties of double perovskites $\text{Ca}_2\text{TMIrO}_6$ (TM=Fe, Co) through first principles study
by: Touaibia, I., et al.
Published: (2024)
by: Touaibia, I., et al.
Published: (2024)
How unconventional oxidation state Au$^{2+}$ is stabilized in halide perovskite Cs$_4$Au$_3$Cl$_{12}$: a first-principles study of its polaron crystal nature
by: Morita, Kazuki, et al.
Published: (2026)
by: Morita, Kazuki, et al.
Published: (2026)
Chiral magnon splitting in altermagnetic CrSb from first principles
by: Zhang, Yi-Fan, et al.
Published: (2025)
by: Zhang, Yi-Fan, et al.
Published: (2025)
Fully characterized linear magnetoelectric response of 2D monolayers from high-throughput first-principles calculations
by: Mangeri, John, et al.
Published: (2025)
by: Mangeri, John, et al.
Published: (2025)
First-principle study on compensated half metallic double perovskite compound $Ba_2PrVO_6$
by: Gao, Qiang, et al.
Published: (2016)
by: Gao, Qiang, et al.
Published: (2016)
Interlayer and interfacial Dzyaloshinskii-Moriya interaction in magnetic trilayers: first-principles calculations
by: Matthies, Tim, et al.
Published: (2024)
by: Matthies, Tim, et al.
Published: (2024)
Ultrafast exciton polaron dynamics in 2D Ruddlesden Popper lead halide perovskites
by: Mondal, Anirban, et al.
Published: (2025)
by: Mondal, Anirban, et al.
Published: (2025)
A comprehensive first principles investigation of A$_2$BH$_6$ type (A= Li,Na, and K; B= Al, and Si) double perovskite hydrides for high capacity hydrogen storage
by: Zosiamliana, R., et al.
Published: (2025)
by: Zosiamliana, R., et al.
Published: (2025)
Hydrogen absorption in intermetallic compounds from first principles
by: Nadeau, Olivier, et al.
Published: (2025)
by: Nadeau, Olivier, et al.
Published: (2025)
First-principles investigation of thermodynamics and electronic transitions in vacancy-ordered rare-earth perovskite nickelates
by: Bhagat, Devang, et al.
Published: (2024)
by: Bhagat, Devang, et al.
Published: (2024)
First-principles investigation of Sr-Ce-M-O perovskites for solar thermochemical water splitting
by: Kumar, Sachin, et al.
Published: (2025)
by: Kumar, Sachin, et al.
Published: (2025)
Band-Gap Tunability in Anharmonic Perovskite-like Semiconductors Driven by Polar Electron-Phonon Coupling
by: Benítez, Pol, et al.
Published: (2025)
by: Benítez, Pol, et al.
Published: (2025)
Symmetry-driven phonon confinement in 2D halide perovskites
by: Aboulsaad, Mustafa Mahmoud, et al.
Published: (2025)
by: Aboulsaad, Mustafa Mahmoud, et al.
Published: (2025)
Electrical magnetochiral anisotropy in trigonal tellurium from first principles
by: Liu, Xiaoxiong, et al.
Published: (2023)
by: Liu, Xiaoxiong, et al.
Published: (2023)
Precise quantum-geometric electronic properties from first principles
by: Martins, José Luís, et al.
Published: (2025)
by: Martins, José Luís, et al.
Published: (2025)
First-principles study of dielectric properties of ferroelectric perovskite oxides with on-site and inter-site Hubbard interactions
by: Choi, Min Chul, et al.
Published: (2025)
by: Choi, Min Chul, et al.
Published: (2025)
Similar Items
-
Charge order through crystallization of Frenkel excitons: realization in kagome metals
by: Jiang, Ruoshi, et al.
Published: (2025) -
Microscopic Theory of Superionic Phase Transitions: Nonadiabatic Dynamics and Many-Body Effects
by: Hu, Jiaming, et al.
Published: (2026) -
Dynamical stability and multifunctional properties of Ni2+/Pr3+ co-doped CsPbCl3 perovskite: insights from first-principles lattice dynamics and carrier transport
by: Azam, Sikander, et al.
Published: (2026) -
Nonuniform grids for Brillouin zone integration and interpolation
by: Chen, Siyu, et al.
Published: (2022) -
Exciton thermalization dynamics in monolayer MoS2: a first-principles Boltzmann equation study
by: Chan, Yang-hao, et al.
Published: (2024)