Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database
Fuente:
arXiv
Saved in:
| Main Authors: | Davidsson, Joel, Stenlund, William, Parackal, Abhijith S, Armiento, Rickard, Abrikosov, Igor A. |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
ADAQ-SYM: Automated Symmetry Analysis of Defect Orbitals
by: Stenlund, William, et al.
Published: (2023)
by: Stenlund, William, et al.
Published: (2023)
Theoretical characterization of NV-like defects in 4H-SiC using ADAQ with the SCAN and r2SCAN meta-GGA functionals
by: Abbas, Ghulam, et al.
Published: (2025)
by: Abbas, Ghulam, et al.
Published: (2025)
The Chlorine Vacancy in 4H-SiC: An NV-like Defect With Telecom Emission
by: Bulancea-Lindvall, Oscar, et al.
Published: (2023)
by: Bulancea-Lindvall, Oscar, et al.
Published: (2023)
High-Throughput Exploration of NV-like Color Centers Across Host Materials
by: Groppfeldt, Oscar, et al.
Published: (2025)
by: Groppfeldt, Oscar, et al.
Published: (2025)
Symmetry-restricted energy landscapes as a benchmark for machine learned interatomic potentials
by: Parackal, Abhijith S, et al.
Published: (2026)
by: Parackal, Abhijith S, et al.
Published: (2026)
Screening 39 billion protostructures for materials discovery
by: Parackal, Abhijith S, et al.
Published: (2026)
by: Parackal, Abhijith S, et al.
Published: (2026)
Evaluating and improving the predictive accuracy of mixing enthalpies and volumes in disordered alloys from universal pre-trained machine learning potentials
by: Casillas-Trujillo, Luis, et al.
Published: (2024)
by: Casillas-Trujillo, Luis, et al.
Published: (2024)
Identifying Crystal Structures Beyond Known Prototypes from X-ray Powder Diffraction Spectra
by: Parackal, Abhijith S., et al.
Published: (2023)
by: Parackal, Abhijith S., et al.
Published: (2023)
NV-like Defects More Common Than Four-Leaf Clovers: A Perspective on High-Throughput Point Defect Data
by: Davidsson, Joel
Published: (2025)
by: Davidsson, Joel
Published: (2025)
Temperature dependence of the AB-lines and Optical Properties of the Carbon-Antisite Vacancy Pair in 4H-SiC
by: Bulancea-Lindvall, Oscar, et al.
Published: (2024)
by: Bulancea-Lindvall, Oscar, et al.
Published: (2024)
WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
by: Kelvinius, Filip Ekström, et al.
Published: (2025)
by: Kelvinius, Filip Ekström, et al.
Published: (2025)
High-Throughput Quantification of Altermagnetic Band Splitting
by: Sufyan, Ali, et al.
Published: (2025)
by: Sufyan, Ali, et al.
Published: (2025)
Demonstration of the ODMR activity of the telecom range ClV center in SiC: a wavefunction theory analysis
by: Benedek, Zsolt, et al.
Published: (2025)
by: Benedek, Zsolt, et al.
Published: (2025)
Discovery of Atomic Clock-Like Spin Defects in Simple Oxides from First Principles
by: Davidsson, Joel, et al.
Published: (2023)
by: Davidsson, Joel, et al.
Published: (2023)
Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model
by: Brännvall, Marian Arale, et al.
Published: (2024)
by: Brännvall, Marian Arale, et al.
Published: (2024)
Revisiting thermal transport in CuCl: First-principles calculations and machine learning force fields
by: Kundu, Ashis, et al.
Published: (2025)
by: Kundu, Ashis, et al.
Published: (2025)
Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures
by: Brännvall, Marian Arale, et al.
Published: (2024)
by: Brännvall, Marian Arale, et al.
Published: (2024)
Machine learning interatomic potential for the low-modulus Ti-Nb-Zr alloys in the vicinity of dynamical instability
by: Mukhamedov, Boburjon, et al.
Published: (2024)
by: Mukhamedov, Boburjon, et al.
Published: (2024)
Simulating Charged Defects at Database Scale
by: Shen, Jimmy-Xuan, et al.
Published: (2024)
by: Shen, Jimmy-Xuan, et al.
Published: (2024)
High Sensitivity Spin Defects in Carbon Implanted Diamond
by: Xingni Chai, et al.
Published: (2025)
by: Xingni Chai, et al.
Published: (2025)
Magnetic Structures Database from Symmetry-aided High-Throughput Calculations
by: Zhou, Hanjing, et al.
Published: (2026)
by: Zhou, Hanjing, et al.
Published: (2026)
Beyond Diamond: Interpretable Machine Learning Reveals Design Principles for Quantum Defect Host Materials
by: Mahshook, Mohammed, et al.
Published: (2025)
by: Mahshook, Mohammed, et al.
Published: (2025)
Automated High-Throughput Screening of Polymers Using a Computational Workflow
by: Smith, Lois, et al.
Published: (2026)
by: Smith, Lois, et al.
Published: (2026)
High-Throughput Computational Exploration of MOFs for Short-Chain PFAS Removal
by: Zhang, Mengru, et al.
Published: (2026)
by: Zhang, Mengru, et al.
Published: (2026)
The HTC-Claw: Automating Discovery through High-Throughput Computational Campaigns
by: Zeng, Lianduan, et al.
Published: (2026)
by: Zeng, Lianduan, et al.
Published: (2026)
Native defects and impurities in talcum quasi-2D layers
by: Dolecsek, Gellért, et al.
Published: (2024)
by: Dolecsek, Gellért, et al.
Published: (2024)
From Defects to Devices: Design Guidelines for High-Performance Diamond-Based Solar Cells and Single-Dopant Diodes
by: Kaintz, Matúš, et al.
Published: (2026)
by: Kaintz, Matúš, et al.
Published: (2026)
From Mono- to Hexa-Interstitials: Computational Insights into Carbon Defects in Diamond
by: Cherati, Nima Ghafari, et al.
Published: (2025)
by: Cherati, Nima Ghafari, et al.
Published: (2025)
A High-Throughput and Data-Driven Computational Framework for Novel Quantum Materials
by: Kastuar, Srihari M., et al.
Published: (2024)
by: Kastuar, Srihari M., et al.
Published: (2024)
An NV- center in magnesium oxide as a spin qubit for hybrid quantum technologies
by: Somjit, Vrindaa, et al.
Published: (2024)
by: Somjit, Vrindaa, et al.
Published: (2024)
Carbon-contaminated topological defects in hexagonal boron nitride for quantum photonics
by: Babar, Rohit, et al.
Published: (2024)
by: Babar, Rohit, et al.
Published: (2024)
High-Throughput Exploration of Refractory High-Entropy Alloys for Strength and Plasticity
by: Giles, Stephen A., et al.
Published: (2025)
by: Giles, Stephen A., et al.
Published: (2025)
Exceptionally High Carrier Mobility in Hexagonal Diamond
by: He, Zirui, et al.
Published: (2026)
by: He, Zirui, et al.
Published: (2026)
Deep Spin Defects in Zinc Oxide for High-Fidelity Single-Shot Readout
by: Zhang, Shimin, et al.
Published: (2025)
by: Zhang, Shimin, et al.
Published: (2025)
High-field Magnetotransport Studies of Surface Conducting Diamonds
by: Xing, Kaijian, et al.
Published: (2026)
by: Xing, Kaijian, et al.
Published: (2026)
Low-field microwave-free sensors using dipolar spin relaxation of quartet spin states in silicon carbide
by: Bulancea-Lindvall, Oscar, et al.
Published: (2022)
by: Bulancea-Lindvall, Oscar, et al.
Published: (2022)
Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C$_3$N$_4$ with hole doping
by: Rudenko, Alexander N., et al.
Published: (2023)
by: Rudenko, Alexander N., et al.
Published: (2023)
Multi-wavelength Spin Dynamics of Defects in Hexagonal Boron Nitride
by: Zhigulin, Ivan, et al.
Published: (2026)
by: Zhigulin, Ivan, et al.
Published: (2026)
Computational Discovery of Metastable NaMnO$_2$ Polymorphs as High-Performance Cathodes with Ultralow Na$^+$ Migration Barriers
by: Wang, Fukuan, et al.
Published: (2025)
by: Wang, Fukuan, et al.
Published: (2025)
High-Throughput Studies of Novel Magnetic Materials in Borides
by: Zhang, Zhen, et al.
Published: (2025)
by: Zhang, Zhen, et al.
Published: (2025)
Similar Items
-
ADAQ-SYM: Automated Symmetry Analysis of Defect Orbitals
by: Stenlund, William, et al.
Published: (2023) -
Theoretical characterization of NV-like defects in 4H-SiC using ADAQ with the SCAN and r2SCAN meta-GGA functionals
by: Abbas, Ghulam, et al.
Published: (2025) -
The Chlorine Vacancy in 4H-SiC: An NV-like Defect With Telecom Emission
by: Bulancea-Lindvall, Oscar, et al.
Published: (2023) -
High-Throughput Exploration of NV-like Color Centers Across Host Materials
by: Groppfeldt, Oscar, et al.
Published: (2025) -
Symmetry-restricted energy landscapes as a benchmark for machine learned interatomic potentials
by: Parackal, Abhijith S, et al.
Published: (2026)