High-throughput computation of electric polarization in solids via Berry flux diagonalization
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Poteshman, Abigail N., Ricci, Francesco, Neaton, Jeffrey B. |
|---|---|
| Format: | Preprint |
| Publié: |
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces
par: Sagredo, Francisca, et autres
Publié: (2025)
par: Sagredo, Francisca, et autres
Publié: (2025)
Automated Workflow for Non-Empirical Wannier-Localized Optimal Tuning of Range-Separated Hybrid Functionals
par: Gant, Stephen E., et autres
Publié: (2025)
par: Gant, Stephen E., et autres
Publié: (2025)
Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers
par: Ke, Sijia, et autres
Publié: (2026)
par: Ke, Sijia, et autres
Publié: (2026)
High-throughput study of electrical conductivity in ordered metals
par: da Silva, Thalis H. B., et autres
Publié: (2026)
par: da Silva, Thalis H. B., et autres
Publié: (2026)
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition
par: Tao, Zui, et autres
Publié: (2025)
par: Tao, Zui, et autres
Publié: (2025)
Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO$_4$
par: Gant, Stephen E., et autres
Publié: (2025)
par: Gant, Stephen E., et autres
Publié: (2025)
High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
par: Xiao, Enda, et autres
Publié: (2025)
par: Xiao, Enda, et autres
Publié: (2025)
Accurate Point Defect Energy Levels from Non-Empirical Screened Range-Separated Hybrid Functionals: the Case of Native Vacancies in ZnO
par: Ke, Sijia, et autres
Publié: (2025)
par: Ke, Sijia, et autres
Publié: (2025)
Predicting electrical conductivity in bi-metal composites
par: Blaschke, Daniel N., et autres
Publié: (2024)
par: Blaschke, Daniel N., et autres
Publié: (2024)
High-throughput screening and mechanistic insights into solid acid proton conductors
par: Hänseroth, Jonas, et autres
Publié: (2026)
par: Hänseroth, Jonas, et autres
Publié: (2026)
Rearrangement collision theory of phonon-driven exciton dissociation
par: Coveney, Christopher J. N., et autres
Publié: (2024)
par: Coveney, Christopher J. N., et autres
Publié: (2024)
EC-MOF/Phase-I: A computationally ready database of electrically conductive metal-organic frameworks with high-throughput structural and electronic properties
par: Zhang, Zeyu, et autres
Publié: (2022)
par: Zhang, Zeyu, et autres
Publié: (2022)
Sub-cycle field-driven dynamical Berry phase in solids
par: Faeyrman, Lior, et autres
Publié: (2026)
par: Faeyrman, Lior, et autres
Publié: (2026)
Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
par: Alvertis, Antonios M., et autres
Publié: (2024)
par: Alvertis, Antonios M., et autres
Publié: (2024)
Large Berry curvature effects induced by extended nodal structures: Rational design strategy and high-throughput materials predictions
par: Wang, Wencheng, et autres
Publié: (2025)
par: Wang, Wencheng, et autres
Publié: (2025)
High-throughput computation and machine learning modeling of magnetic moments and Mössbauer parameters for Fe-based intermetallics
par: Zhao, Bo, et autres
Publié: (2025)
par: Zhao, Bo, et autres
Publié: (2025)
Orbital magnetization in two-dimensional materials from high-throughput computational screening
par: Ovesen, Martin, et autres
Publié: (2024)
par: Ovesen, Martin, et autres
Publié: (2024)
Electronic and Optical Excitations in van der Waals Materials from a Non-Empirical Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Functional
par: Camarasa-Gómez, María, et autres
Publié: (2024)
par: Camarasa-Gómez, María, et autres
Publié: (2024)
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
par: Rana, Rohit, et autres
Publié: (2026)
par: Rana, Rohit, et autres
Publié: (2026)
High-throughput screening for boride superconductors
par: Chen, Shiya, et autres
Publié: (2024)
par: Chen, Shiya, et autres
Publié: (2024)
Reproducibility of high-throughput density-functional-theory calculations
par: Lu, Chenxi, et autres
Publié: (2025)
par: Lu, Chenxi, et autres
Publié: (2025)
High-throughput screening of charge-order-induced ferroelectrics
par: Cuevas-Medina, Jose, et autres
Publié: (2025)
par: Cuevas-Medina, Jose, et autres
Publié: (2025)
High-throughput computational framework for lattice dynamics and thermal transport including high-order anharmonicity: an application to cubic and tetragonal inorganic compounds
par: Li, Zhi, et autres
Publié: (2025)
par: Li, Zhi, et autres
Publié: (2025)
Foundations of the ionization potential condition for localized electron removal in density functional theory
par: Ohad, Guy, et autres
Publié: (2025)
par: Ohad, Guy, et autres
Publié: (2025)
Magnetic-field induced spiral order in the electric polarization
par: Wang, Pei, et autres
Publié: (2024)
par: Wang, Pei, et autres
Publié: (2024)
Sign reversal of Berry curvature triple driven by magnetic phase transition in a ferromagnetic polar metal
par: Sha, Xuyang, et autres
Publié: (2025)
par: Sha, Xuyang, et autres
Publié: (2025)
High-throughput screening of Weyl semimetals
par: Grassano, Davide, et autres
Publié: (2023)
par: Grassano, Davide, et autres
Publié: (2023)
From Berry curvature to quantum metric: a new era of quantum geometry metrology for Bloch electrons in solids
par: Yang, Bohm-Jung
Publié: (2025)
par: Yang, Bohm-Jung
Publié: (2025)
Photocurrent generation in solids via linearly polarized laser
par: Bharti, Amar, et autres
Publié: (2024)
par: Bharti, Amar, et autres
Publié: (2024)
High-throughput computational screening of small, eco-friendly, molecular crystals for sustainable piezoelectric materials
par: Vishnoi, Shubham, et autres
Publié: (2024)
par: Vishnoi, Shubham, et autres
Publié: (2024)
High-throughput discovery of moiré homobilayers guided by topology and energetics
par: Nakatsuji, Naoto, et autres
Publié: (2025)
par: Nakatsuji, Naoto, et autres
Publié: (2025)
High-throughput calculations of antiferromagnets hosting anomalous transport phenomena
par: Nomoto, Takuya, et autres
Publié: (2024)
par: Nomoto, Takuya, et autres
Publié: (2024)
Theory of polarization-switchable electrical conductivity anisotropy in nonpolar semiconductors
par: Zhao, Hong Jian, et autres
Publié: (2024)
par: Zhao, Hong Jian, et autres
Publié: (2024)
Structural chirality measurements and computation of handedness in periodic solids
par: Gómez-Ortiz, Fernando, et autres
Publié: (2024)
par: Gómez-Ortiz, Fernando, et autres
Publié: (2024)
High-throughput Screening of the Mechanical Properties of Peptide Assemblies
par: Yorke, Sarah K., et autres
Publié: (2025)
par: Yorke, Sarah K., et autres
Publié: (2025)
High-throughput Discovery of Anti-gap Semiconductors
par: Xiang, Zeyu, et autres
Publié: (2025)
par: Xiang, Zeyu, et autres
Publié: (2025)
High-throughput study of kagome compounds in the AV3Sb5 family
par: da Silva, Thalis H. B., et autres
Publié: (2025)
par: da Silva, Thalis H. B., et autres
Publié: (2025)
High-throughput screening of spin Hall conductivity in 2D materials
par: Li, Fu, et autres
Publié: (2025)
par: Li, Fu, et autres
Publié: (2025)
Automated High-throughput Organic Crystal Structure Prediction via Population-based Sampling
par: Zhu, Qiang, et autres
Publié: (2024)
par: Zhu, Qiang, et autres
Publié: (2024)
Two-dimensional altermagnets from high throughput computational screening: symmetry requirements, chiral magnons and spin-orbit effects
par: Sødequist, Joachim, et autres
Publié: (2024)
par: Sødequist, Joachim, et autres
Publié: (2024)
Documents similaires
-
The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces
par: Sagredo, Francisca, et autres
Publié: (2025) -
Automated Workflow for Non-Empirical Wannier-Localized Optimal Tuning of Range-Separated Hybrid Functionals
par: Gant, Stephen E., et autres
Publié: (2025) -
Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers
par: Ke, Sijia, et autres
Publié: (2026) -
High-throughput study of electrical conductivity in ordered metals
par: da Silva, Thalis H. B., et autres
Publié: (2026) -
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition
par: Tao, Zui, et autres
Publié: (2025)