26 citations · 156 across the 19 of their papers we have counts for
20 papers
Driven charge density modulation by spin density wave and their coexistence interplay in SmFeAsO: A first-principles study
Toktam Morshedloo, Ali Kazempour, Hamideh Shakeripour +2
We use density functional theory to investigate effects of spin-orbit coupling and single-stripe-type antiferromagnetic (sAFM) ordering on the crystal structure and electronic prop…
Benchmarking density functional theory on the prediction of antiferromagnetic transition temperatures
Zahra Mosleh, Mojtaba Alaei
This study investigates the predictive capabilities of common DFT methods (GGA, GGA+, and GGA++) for determining the transition temperature of antiferromagnetic insulators…
A deep investigation of NiO and MnO through the first principle calculations and Monte Carlo simulations
Mojtaba Alaei, Homa Karimi
In this study, we use Hubbard-Corrected density functional theory (DFT+) to derive spin model Hamiltonians consisting of Heisenberg exchange interactions up to the fourth neares…
Machine Learning for compositional disorder: A Comparison Between Different Descriptors and Machine Learning Frameworks
Mostafa Yaghoobi, Mojtaba Alaei
Compositional disorder is common in crystal compounds. In these compounds, some atoms are randomly distributed at some crystallographic sites. For such compounds, randomness forms…
Novel First-Principles Insights into Graphene Fluorination
Tahereh Malakoutikhah, S. Javad Hashemifar, Mojtaba Alaei
Comprehensive first-principles calculations are performed on diverse arrangements of relevant chemical defects in fluorographene to provide accurate microscopic insights into the p…
Magnetic and structural properties of Ni-substituted magnetoelectric CoNbO
Hadi Papi, Virgile Yves Favre, Hossein Ahmadvand +7
The magnetic and structural properties of polycrystalline Co Ni Nb O (x=1,2) have been investigated by neutron powder diffraction, magnetization and heat capaci…