Cover Image

Approximate Excited-State Potential Energy Surfaces for Defects in Solids

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Turiansky, Mark E., Lyons, John L.
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Machine Learning Phonon Spectra for Fast and Accurate Optical Lineshapes of Defects
by: Turiansky, Mark E., et al.
Published: (2025)

Dielectric Loss due to Charged-Defect Acoustic Phonon Emission
by: Turiansky, Mark E., et al.
Published: (2024)

Rational Design of Efficient Defect-Based Quantum Emitters
by: Turiansky, Mark E., et al.
Published: (2024)

Excited-State Dynamics and Optically Detected Magnetic Resonance of Solid-State Spin Defects from First Principles
by: Li, Kejun, et al.
Published: (2024)

Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
by: Li, Jiachen, et al.
Published: (2024)

Impact of Absorption due to Zero-Field Splitting on Loss in Dielectrics: A Case Study in Sapphire
by: Turiansky, Mark E., et al.
Published: (2025)

Alkali doping of Zn$_{\rm x}$Mg$_{\rm 1-x}$O alloys for $p$-type conductivity
by: Lyons, John L.
Published: (2025)

Carbon in GaN as a nonradiative recombination center
by: Zhao, Fangzhou, et al.
Published: (2025)

Stochastic Cluster Expansion for Excited State Energies
by: Canestraight, Annabelle, et al.
Published: (2026)

First-principles theory of direct-gap optical emission in hexagonal Ge and its enhancement via strain engineering
by: Broderick, Christopher A., et al.
Published: (2024)

Excited State Absorption Drives Low-Energy Optical Limiting in Oligothiophenes
by: Driouech, Mustapha, et al.
Published: (2025)

Charge dynamics at nitrogen impurities and nitrogen-vacancy centers in diamond
by: Vishwakarma, Chandan Kumar, et al.
Published: (2026)

Assessing the SCAN functional for deep defects and small polarons in wide-bandgap semiconductors and insulators
by: Wickramaratne, Darshana, et al.
Published: (2023)

Self-compensation by silicon $DX$ centers in ultrawide-bandgap nitrides
by: Lyons, John L., et al.
Published: (2026)

Benchmarking 34 OpenKIM Nickel Potentials with an Emphasis on Surfaces and Extended Defects
by: Thoms, Matthew, et al.
Published: (2025)

A CN complex as an alternative to the T center in Si
by: Nangoi, J. K., et al.
Published: (2025)

Thermalization of Optically Excited Fermi Systems: Electron-Electron Collisions in Solid Metals
by: Roden, Stephanie, et al.
Published: (2026)

Revisiting the Formulation of Charged Defect in Solids
by: Shang, Hanzhi, et al.
Published: (2024)

Native defects and erbium impurities in CaWO4
by: Choi, Minseok, et al.
Published: (2026)

A Mountaineering Strategy to Excited States: Accurate Vertical Transition Energies and Benchmarks for Substituted Benzenes
by: Loos, Pierre-François, et al.
Published: (2024)

Learning Radical Excited States from Sparse Data
by: Shen, Jingkun, et al.
Published: (2024)

Computational design of optimal heterostructures for $β$-Ga$_2$O$_3$
by: Seacat, Sierra, et al.
Published: (2023)

Anharmonic Terms of the Potential Energy Surface: A Group Theoretical Approach
by: Mitoli, Davide, et al.
Published: (2023)

Nonradiative quenching of EPR signals in germanium-doped AlGaN: evidence for DX-center formation
by: Forbus, Jason, et al.
Published: (2024)

A Foundational Potential Energy Surface Dataset for Materials
by: Kaplan, Aaron D., et al.
Published: (2025)

Accelerating Structural Optimization through Fingerprinting Space Integration on the Potential Energy Surface
by: Tao, Shuo, et al.
Published: (2024)

Calorimetric Measurement of the Surface Energy of Enstatite, MgSiO$_3$
by: Householder, Megan A., et al.
Published: (2026)

State-Specific Coupled-Cluster Methods for Excited States
by: Damour, Yann, et al.
Published: (2024)

Photo-Activated, Solid-State Introduction of Luminescent Oxygen Defects into Semiconducting Single-Walled Carbon Nanotubes
by: Wieland, Sonja, et al.
Published: (2024)

Ground-State Structure Search of Defective High-Entropy Alloys Using Machine-Learning Potentials and Monte Carlo Sampling
by: Zhu, Siya, et al.
Published: (2026)

Solid-State Diffusion: An Introduction
by: Rondón, Jairo, et al.
Published: (2024)

Resonant states and nuclear dynamics in solid-state systems: the case of silicon-hydrogen bond dissociation
by: Lee, Woncheol, et al.
Published: (2025)

Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations
by: Li, Jiachen, et al.
Published: (2024)

Heterogeneity in Point Defect Distribution and Mobility in Solid Ion Conductors
by: Limon, Md Salman Rabbi, et al.
Published: (2023)

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance
by: Weinberg, Daniel, et al.
Published: (2024)

Probing Topological Surface States and Conduction via Extended Defects in (Bi$_{1-x}$Sb$_x$)$_2$Te$_3$ Films
by: Liu, Abby, et al.
Published: (2025)

Multi-fidelity Machine Learning Interatomic Potentials for Charged Point Defects
by: Wang, Xinwei, et al.
Published: (2026)

The deep-acceptor nature of the chalcogen vacancies in 2D transition-metal dichalcogenides
by: Khalid, Shoaib, et al.
Published: (2023)

Collision Cascade-Driven Evolution of Vacancy Defects in Ni-Based Concentrated Solid-Solution Alloys
by: Aligayev, A., et al.
Published: (2024)

Adjacent Sink Strengths Used in Multiscale Kinetic Rate Equation Simulations of Defects and Impurities in Solids
by: Ahlgren, Tommy
Published: (2026)