Guardado en:
| Autores principales: | Ward, Emily G., Georgescu, Alexandru B. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2410.19142 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
In-Plane Ni-O-Ni Bond Angles as Structural Fingerprints of Superconductivity in Layered Nickelates: Effects of Pressure, Strain, Layering, and Correlations
por: Samanta, Bipasa, et al.
Publicado: (2025)
por: Samanta, Bipasa, et al.
Publicado: (2025)
Why Charge Added Using Transition Metals To Some Insulators -- Including LK-99 -- Localizes and Does Not Yield a Metal
por: Georgescu, Alexandru B.
Publicado: (2023)
por: Georgescu, Alexandru B.
Publicado: (2023)
Heteroanionic Stabilization of Ni$^{1+}$ with Nonplanar Coordination in Layered Nickelates
por: Harada, Jaye K., et al.
Publicado: (2023)
por: Harada, Jaye K., et al.
Publicado: (2023)
Discovery of Correlated Electron Molecular Orbital Materials using Graph Representations
por: Akhond, Md. Rajbanul, et al.
Publicado: (2026)
por: Akhond, Md. Rajbanul, et al.
Publicado: (2026)
Symmetry-Driven Trimer Formation in Kagome Correlated Electron Materials
por: Kumari, Varsha, et al.
Publicado: (2025)
por: Kumari, Varsha, et al.
Publicado: (2025)
Non-relativistic spin splitting in compensated magnets that are not altermagnets
por: Yuan, Lin-Ding, et al.
Publicado: (2024)
por: Yuan, Lin-Ding, et al.
Publicado: (2024)
First-principles Investigation of CaV$_2$TeO$_8$: A Multifunctional Heteroanionic Oxychalcogenide for Photocatalytic and Thermoelectric Applications
por: Thamizharasan, G., et al.
Publicado: (2025)
por: Thamizharasan, G., et al.
Publicado: (2025)
Disentangling the Effects of Structure and Lone-Pair Electrons in the Lattice Dynamics of Halide Perovskites
por: Caicedo-Dávila, Sebastián, et al.
Publicado: (2023)
por: Caicedo-Dávila, Sebastián, et al.
Publicado: (2023)
Choosing Tight-Binding Models for Accurate Optoelectronic Responses
por: Ghosh, Andreas, et al.
Publicado: (2024)
por: Ghosh, Andreas, et al.
Publicado: (2024)
Octahedral Tilting in Halide Double Perovskites: Disentangling Lone-Pair Chemistry and Geometric Effects
por: Baskurt, Mehmet, et al.
Publicado: (2026)
por: Baskurt, Mehmet, et al.
Publicado: (2026)
Determination of Density Functional Tight Binding Models for Cerium Allotropes
por: Goldman, Nir, et al.
Publicado: (2026)
por: Goldman, Nir, et al.
Publicado: (2026)
Optimization of Ab-Initio Based Tight-Binding Models
por: Dick, Henrik, et al.
Publicado: (2025)
por: Dick, Henrik, et al.
Publicado: (2025)
CHIPS-TB: Evaluating Tight-Binding Models For Metals, Semiconductors, and Insulators
por: Park, In Jun, et al.
Publicado: (2025)
por: Park, In Jun, et al.
Publicado: (2025)
Coupled Structural and Electronic Requirements in Alpha-FASnI3 Imposed by the Sn(II) Lone Pair
por: Venkatanarayanan, Mridhula, et al.
Publicado: (2025)
por: Venkatanarayanan, Mridhula, et al.
Publicado: (2025)
Comparative Analysis of Tight-Binding models for Transition Metal Dichalcogenides
por: Jorissen, Bert, et al.
Publicado: (2023)
por: Jorissen, Bert, et al.
Publicado: (2023)
Pinalites: Optical properties and Quantum Magnetism of Heteroanionic A$_3$MO$_5$X$_2$ Compounds
por: Hirai, Daigorou
Publicado: (2025)
por: Hirai, Daigorou
Publicado: (2025)
Adsorption Behavior of Greenhouse Gases on Carbon Nanobelts: A Semi-Empirical Tight-Binding Approach for Environmental Application
por: Aguiar, C., et al.
Publicado: (2025)
por: Aguiar, C., et al.
Publicado: (2025)
Adaptive Slater Koster Parameters: Crossing Oxidation States with Density Functional Tight Binding
por: Song, Yihua, et al.
Publicado: (2026)
por: Song, Yihua, et al.
Publicado: (2026)
Effective Tight-Binding Model of Compensated Ferrimagnetic Weyl Semimetal with Spontaneous Orbital Magnetization
por: Meguro, Tomonari, et al.
Publicado: (2023)
por: Meguro, Tomonari, et al.
Publicado: (2023)
Lone Pair Induced 1D Character and Weak Cation-anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-anion Metal Chalcohalides
por: Shen, Xingchen, et al.
Publicado: (2024)
por: Shen, Xingchen, et al.
Publicado: (2024)
TBPLaS 2.0: a Tight-Binding Package for Large-scale Simulation
por: Li, Yunhai, et al.
Publicado: (2025)
por: Li, Yunhai, et al.
Publicado: (2025)
Correlated Electron Effects in Chromium Trihalide Hetostructures with Graphene: A Tight-Binding Model Perspective
por: Rozhansky, Igor, et al.
Publicado: (2024)
por: Rozhansky, Igor, et al.
Publicado: (2024)
Accelerating Discovery of Metal-Insulator Transition Compounds Using Physics-Informed Machine Learning
por: Georgescu, Alexandru B., et al.
Publicado: (2024)
por: Georgescu, Alexandru B., et al.
Publicado: (2024)
Two-Dimensional Altermagnetic Iron Oxyhalides: Real Chern Topology and Valley-Spin-Lattice Coupling
por: Wang, Yong-Kun, et al.
Publicado: (2025)
por: Wang, Yong-Kun, et al.
Publicado: (2025)
Creation of an Fe$_3$P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations
por: Dettori, Riccardo, et al.
Publicado: (2024)
por: Dettori, Riccardo, et al.
Publicado: (2024)
GPUTB: Efficient Machine Learning Tight-Binding Method for Large-Scale Electronic Properties Calculations
por: Wang, Yunlong, et al.
Publicado: (2025)
por: Wang, Yunlong, et al.
Publicado: (2025)
Exploring the Electronic Potential of Effective Tight$-$Binding Hamiltonians
por: Candiotto, Graziâni
Publicado: (2024)
por: Candiotto, Graziâni
Publicado: (2024)
Emerging Microelectronic Materials by Design: Navigating Combinatorial Design Space with Scarce and Dispersed Data
por: Zhang, Hengrui, et al.
Publicado: (2024)
por: Zhang, Hengrui, et al.
Publicado: (2024)
Lattice-Distortion-Mediated Proton Pairing and Trapping in Solid State Oxides
por: Ma, Hang, et al.
Publicado: (2025)
por: Ma, Hang, et al.
Publicado: (2025)
Chiral Lone‐Pair Helices with Handedness Coupling to Electric‐Strain Fields
por: Caren R. Zeiger, et al.
Publicado: (2025)
por: Caren R. Zeiger, et al.
Publicado: (2025)
Ultrathin Rare‐Earth Oxyhalides as High‐κ van der Waals Layered Dielectrics
por: Zijia Liu, et al.
Publicado: (2025)
por: Zijia Liu, et al.
Publicado: (2025)
Stable Oxyhalide‐Nitride Fast Ionic Conductors for All‐Solid‐State Li Metal Batteries
por: Baochen Ma, et al.
Publicado: (2024)
por: Baochen Ma, et al.
Publicado: (2024)
Advancing excited-state simulations for TADF emitters: An eXtended Tight-Binding framework for high-throughput screening and design
por: Njafa, Jean-Pierre Tchapet, et al.
Publicado: (2025)
por: Njafa, Jean-Pierre Tchapet, et al.
Publicado: (2025)
Embedding Fe‐Based Redox Chemistry Into Low‐Cost Oxyhalide Solid Electrolytes for High‐Performance All‐Solid‐State Batteries
por: Zhimin Zhou, et al.
Publicado: (2026)
por: Zhimin Zhou, et al.
Publicado: (2026)
Engineering the Magnetic Transition Temperatures and the Rare Earth Exchange Interaction in Oxide Heterostructures
por: Spring, Jonathan, et al.
Publicado: (2024)
por: Spring, Jonathan, et al.
Publicado: (2024)
Estimation Enhancing in Optoelectronic Property: A Novel Approach Using Orbital Interaction Parameters and Tight-Binding
por: Zargar, Ali Haji Ebrahim, et al.
Publicado: (2024)
por: Zargar, Ali Haji Ebrahim, et al.
Publicado: (2024)
Conductance Model for Single-Crystalline/Compact Metal Oxide Gas Sensing Layers in the Non-Degenerate Limit: Example of Epitaxial SnO$_2$(101)
por: Simion, Cristian, et al.
Publicado: (2020)
por: Simion, Cristian, et al.
Publicado: (2020)
Tight-binding model: correction of the d-band approximation
por: Eone, Jacques R.
Publicado: (2021)
por: Eone, Jacques R.
Publicado: (2021)
Tight-binding and density-functional study of the Raman tensor in two-dimensional massive Dirac fermion systems
por: Parlak, Selçuk, et al.
Publicado: (2025)
por: Parlak, Selçuk, et al.
Publicado: (2025)
Donor-Acceptor Pairs in Wide-Bandgap Semiconductors for Quantum Technology Applications
por: Bilgin, Anil, et al.
Publicado: (2023)
por: Bilgin, Anil, et al.
Publicado: (2023)
Ejemplares similares
-
In-Plane Ni-O-Ni Bond Angles as Structural Fingerprints of Superconductivity in Layered Nickelates: Effects of Pressure, Strain, Layering, and Correlations
por: Samanta, Bipasa, et al.
Publicado: (2025) -
Why Charge Added Using Transition Metals To Some Insulators -- Including LK-99 -- Localizes and Does Not Yield a Metal
por: Georgescu, Alexandru B.
Publicado: (2023) -
Heteroanionic Stabilization of Ni$^{1+}$ with Nonplanar Coordination in Layered Nickelates
por: Harada, Jaye K., et al.
Publicado: (2023) -
Discovery of Correlated Electron Molecular Orbital Materials using Graph Representations
por: Akhond, Md. Rajbanul, et al.
Publicado: (2026) -
Symmetry-Driven Trimer Formation in Kagome Correlated Electron Materials
por: Kumari, Varsha, et al.
Publicado: (2025)