Cover Image

Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Brännvall, Marian Arale, Armiento, Rickard, Alling, Björn
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures
by: Brännvall, Marian Arale, et al.
Published: (2024)

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)

Symmetry-restricted energy landscapes as a benchmark for machine learned interatomic potentials
by: Parackal, Abhijith S, et al.
Published: (2026)

High-Throughput Exploration of NV-like Color Centers Across Host Materials
by: Groppfeldt, Oscar, et al.
Published: (2025)

Screening 39 billion protostructures for materials discovery
by: Parackal, Abhijith S, et al.
Published: (2026)

The Chlorine Vacancy in 4H-SiC: An NV-like Defect With Telecom Emission
by: Bulancea-Lindvall, Oscar, et al.
Published: (2023)

ADAQ-SYM: Automated Symmetry Analysis of Defect Orbitals
by: Stenlund, William, et al.
Published: (2023)

Identifying Crystal Structures Beyond Known Prototypes from X-ray Powder Diffraction Spectra
by: Parackal, Abhijith S., et al.
Published: (2023)

Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database
by: Davidsson, Joel, 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)

Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
by: Fiorentino, Alfredo, et al.
Published: (2024)

High-Throughput Quantification of Altermagnetic Band Splitting
by: Sufyan, Ali, et al.
Published: (2025)

Diffusion coefficients of multi-principal element alloys from first principles
by: Lee, Damien K. J., et al.
Published: (2026)

Effects of W alloying on the electronic structure, phase stability and thermoelectric power factor in epitaxial CrN thin films
by: Singh, Niraj Kumar, et al.
Published: (2023)

Order-disorder duality of high entropy alloys extends non-linear optics
by: Milichko, Valentin A., et al.
Published: (2025)

Electron-phonon coupling in ferromagnetic Fe-Co alloys from first principles
by: Moseni, Kevin, et al.
Published: (2024)

Magnetization and exchange-stiffness constants of Fe-Al-Si alloys at finite-temperatures: A first-principles study
by: Yamashita, Shogo, et al.
Published: (2024)

Experimental realization of a high Curie temperature CoFeRuSn quaternary Heusler alloy for spintronic applications
by: Kumar, Ravinder, et al.
Published: (2023)

Conditioning on Local Statistics for Scalable Heterogeneous Federated Learning
by: Brännvall, Rickard
Published: (2025)

Client-Conditional Federated Learning via Local Training Data Statistics
by: Brännvall, Rickard
Published: (2026)

Exponential-Family Membership Inference: From LiRA and RMIA to BaVarIA
by: Brännvall, Rickard
Published: (2026)

Grain boundary interstitial segregation in substitutional binary alloys
by: Zhang, Zuoyong, et al.
Published: (2025)

Structural and magnetic properties of Fe-Co-C alloys with tetragonal deformation: a first-principle study
by: Marciniak, Wojciech, et al.
Published: (2023)

Enhancement of the electronic thermoelectric properties of bulk strained silicon-germanium alloys using the scattering relaxation times from first principles
by: Murphy-Armando, F.
Published: (2019)

Point defects in CdTe and CdTeSe alloy: a first principles investigation with DFT+U
by: Xiang, Xiaofeng, et al.
Published: (2024)

First-principles study of the order-disorder transition in the AlCrTiV high entropy alloy
by: Widom, Michael
Published: (2024)

A first-principles study on the early-stage corrosion of a NiWNb alloy in a chloride salt environment
by: Doležal, Tyler D., et al.
Published: (2025)

Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis
by: Lin, Shuang, et al.
Published: (2024)

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)

Derivative learning of tensorial quantities -- Predicting finite temperature infrared spectra from first principles
by: Schmiedmayer, Bernhard, et al.
Published: (2024)

First-principles study of the energetics and the local chemical ordering of tungsten-based alloys
by: Qian, Yichen, et al.
Published: (2024)

Thermodynamic and electronic properties of rutile Sn$_{1-x}$Ge$_x$O$_2$ alloys from first principles
by: Müller, Yann L., et al.
Published: (2026)

InhibiDistilbert: Knowledge Distillation for a ReLU and Addition-based Transformer
by: Zhang, Tony, et al.
Published: (2025)

WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
by: Kelvinius, Filip Ekström, et al.
Published: (2025)

Giant magnetocrystalline anisotropy energy in Fe--Co alloy under uniaxial compression: first-principles prediction
by: Marciniak, Wojciech, et al.
Published: (2024)

Phase stability and structural properties of the K$_{x}$Ca$_{1-x}$N novel ferromagnetic alloy from first-principles
by: Larbaoui, K., 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)

Tailoring hard magnetic properties of Fe2MnSn Heusler alloy via interstitial modification: A first-principles approach
by: Jami, Junaid, et al.
Published: (2025)

Overestimation of melting temperatures calculated by first-principles molecular dynamics simulations
by: Shirai, Koun, et al.
Published: (2024)

Explainable AI for Curie Temperature Prediction in Magnetic Materials
by: Ajaib, M. Adeel, et al.
Published: (2025)