145 citations · 263 across the 17 of their papers we have counts for
19 papers
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…
AI-Driven Discovery of High-Temperature Superconductors via Materials Genome Initiative and High-Throughput Screening
H. Gashmard, H. Shakeripour, M. Alaei
Inspired by nature, this study employs the Materials Genome Initiative to identify key components of HTSC superconductors. Integrating AI with high-throughput screening, we uncover…
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…
1D Transition Metal Oxide Chains as a Challenging Model for Ab Initio Calculations
Jila Amini, Mojtaba Alaei, Stefano de Gironcoli
Providing highly simplified models of strongly correlated electronic systems that challenge {\it ab initio} calculations can serve as a valuable testing ground to improve these met…
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…
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…
Discovery of Novel Silicon Allotropes with Optimized Band Gaps to Enhance Solar Cell Efficiency through Evolutionary Algorithms and Machine Learning
Mostafa Yaghoobi, Mojtaba Alaei, Mahtab Shirazi +2
In the pursuit of advancing solar energy technologies, this study presents 20 direct and quasi-direct band gap silicon crystalline semiconductors that satisfy the Shockley-Queisser…
Strain-tunable magnetic and magnonic states in Ni-dihalide monolayers
Ali Ghojavand, Maarten Soenen, Nafise Rezaei +3
Monolayer NiI garners large research interest due to its multiferroic behavior stemming from the interplay between its non-collinear magnetic order and the spin-orbit coupling.…
Predicting Superconducting Transition Temperature through Advanced Machine Learning and Innovative Feature Engineering
Hassan Gashmard, Hamideh Shakeripour, Mojtaba Alaei
Superconductivity is a remarkable phenomenon in condensed matter physics, which comprises a fascinating array of properties expected to revolutionize energy-related technologies an…
Devil's staircase transition of the electronic structures in CeSb
Kenta Kuroda, Y. Arai, N. Rezaei +21
Solids with competing interactions often undergo complex phase transitions with a variety of long-periodic modulations. Among such transition, devil's staircase is the most complex…
Direct band gap in gallium sulfide nanostructures
M. Mosaferi, I. Abdolhosseini Sarsari, M. Alaei
The monolayer Gallium sulfide (GaS) was demonstrated as a promising two-dimensional semiconductor material with considerable band gaps. The present work investigates the band gap m…
Quantum conductance of MoS_2 armchair nanoribbons
F. Tabatabaei, I. Abdolhosseini Sarsari, N. Rezaei +1
Molybdenum disulfide (MoS2) is layered transition-metal dichalcogenide (TMDC), which in its monolayer form, has the direct bandgap of 1.8 eV. We investigated the effect of width an…
Calculated Structural and Electronic Interactions of the nano dye molecule () with a iodide/triiodide redox shuttle
E. Shomali, I. Abdolhosseini Sarsari, S. Javad Hashemifar +1
In this paper, dye sensitized solar cell based on nano dye molecule N3 are investigated by using density functional computations. The main focus is on the N3 dye molecule and corre…
Comment on "Semiconducting Layered Blue Phosphorus: A Computational Study"
I. Abdolhosseini Sarsari, Z. Allahyari, M. Alaei +1
\noindent Using results drawn from the pages of PRL\cite{Zhu2014}, the authors comment on \textquotedblleft Semiconducting Layered Blue Phosphorus: A Computational Study\textquoted…
and form factors and from 2+1-flavor lattice QCD with domain-wall light quarks and relativistic heavy quarks
J. M. Flynn, T. Izubuchi, T. Kawanai +4
We calculate the and form factors in dynamical lattice QCD. We use the (2+1)-flavor RBC-UKQCD gauge-field ensembles generated with the domain-wall f…