159 citations · 349 across the 12 of their papers we have counts for
13 papers · 1 filter
Pressure-Tunable Electronic and Magnonic Transport in Altermagnet LaOMnSe
Nafise Rezaei, Alireza Qaiumzadeh, Artem R. Oganov +1
Hydrostatic pressure provides a symmetry-preserving route to engineer electronic and magnonic transport in the correlated insulating altermagnet LaOMnSe. Using firs…
Complex Magnetic Behavior in RuO Thin Films Driven by Strain and Substrate Effects
Mojtaba Alaei, Nafise Rezaei, Ilia Mikhailov +2
Ruthenium dioxide (RuO) has been proposed as a prototypical metallic -wave altermagnet, a Néel-ordered compensated antiferromagnetic state exhibiting nonrelativistic momentu…
Benchmarking First-Principles Approaches for Extracting Magnetic Exchange Interactions
Nafise Rezaei, Artem R. Oganov, Ali Ghojavand +2
Magnetic exchange interactions govern the macroscopic magnetic behavior of solids and underpin both fundamental spin phenomena and emerging technologies. The accurate and efficient…
Predicting the Curie Temperature of Magnetic Materials with Machine Learning: Descriptor Engineering, Graph Neural Networks, and the Role of Curated Data
Akram Abedi Orang, Mojtaba Alaei, Artem R. Oganov
Predicting the Curie temperature () of magnetic materials is crucial for advancing applications in data storage, spintronics, and sensors. We present a machine learni…
Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations
Mojtaba Alaei, Zahra Mosleh, Nafise Rezaei +1
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condense…
Acceleration of crystal structure relaxation with Deep Reinforcement Learning
Elena Trukhan, Efim Mazhnik, Artem R. Oganov
We introduce a Deep Reinforcement Learning (DRL) model for the structure relaxation of crystal materials and compare different types of neural network architectures and reinforceme…
Evaluating SCAN and rSCAN meta-GGA functionals for predicting transition temperatures in antiferromagnetic materials
Nafise Rezaei, Mojtaba Alaei, Artem R. Oganov
Recent advancements in exchange-correlation functionals within density functional theory highlight the need for rigorous validation across diverse types of materials properties. In…
Origin of -type antiferromagnetism and chiral split magnons in altermagnetic -MnTe
Mojtaba Alaei, Pawel Sobieszczyk, Andrzej Ptok +3
The origin of the -type antiferromagnetic ordering, characterized by ferromagnetic layers coupling antiferromagnetically, in the prototype semiconductor altermagnet -MnTe has…
Optimizing Supercell Structures for Heisenberg Exchange Interaction Calculations
Mojtaba Alaei, Artem R. Oganov
In this paper, we introduce an efficient, linear algebra-based method for optimizing supercell selection to determine Heisenberg exchange parameters from DFT calculations. A widely…
Crystal structure prediction at finite temperatures
Ivan A. Kruglov, Alexey V. Yanilkin, Yana Propad +1
Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on…
Prediction of a Stable Post-Post-Perovskite Structure from First Principles
Changsong Xu, Bin Xu, Yurong Yang +6
A novel stable crystallographic structure is discovered in a variety of ABO3, ABF3 and A2O3 compounds (including materials of geological relevance, prototypes of multiferroics, exh…
On the Hardness of a New Boron Phase, Orthorhombic γ-B28
V. L. Solozhenko, O. O. Kurakevych, A. R. Oganov
Measurements of the hardness of a new high-pressure boron phase, orthorhombic γ-B28, are reported. According to the data obtained, γ-B28 has the highest hardness (~50 GPa) of all k…
Boron: a Hunt for Superhard Polymorphs
A. R. Oganov, V. L. Solozhenko
Boron is a unique element, being the only element, all known polymorphs of which are superhard, and all of its crystal structures are distinct from any other element. The electron-…