8 citations · 12 across the 14 of their papers we have counts for
7 papers · 1 filter
Tuning Structure and Magnetism in Large-Scale 2D Ferromagnet FeGeTe through Ni Doping
Kacho Imtiyaz Ali Khan, Tauqir Shinwari, Soheil Ershadrad +13
Two-dimensional ferromagnets with strong perpendicular magnetic anisotropy exhibit magnetic order down to the monolayer thickness, beneficial for energy-efficient spintronic device…
Towards Universal Material Property Prediction with Deep Learning and Single-Descriptor electronic Density
Feng Chen, Shu Li, Xin Chen +3
Owing to its high scalability and computational efficiency, machine learning methods have been increasingly integrated into various scientific research domains, including ab initio…
A High-Throughput Search for Stable and Magnetically Robust FeXY Monolayers
Soheil Ershadrad, Biplab Sanyal
We present first principles exploration of 529 FeXY compounds, where and elements are selected from the -block of the periodic table. Out of the entire set, 31 c…
Complex magnetic exchange, anisotropy and skyrmionic textures in two-dimensional FeXZ (\textit{X} = Nb, Ta and \textit{Z} = S, Se, Te) ferromagnets
Soheil Ershadrad, Nikola Machacova, Arnob Mukherjee +3
FeNbTe, long known as a van der Waals metallic system, has recently been resynthesized and shown to exhibit ferromagnetic order. In this study, using first-principles density…
Discovery of an ultrastable antiferromagnetic two-dimensional CrF3 phase with anisotropic quasi-one-dimensional mechanical, electronic, and thermal properties
Xin Chen, Fengyi Zhou, Yan Suo +4
We report the discovery of an ultra-stable antiferromagnetic two-dimensional (2D) CrF3 phase that is energetically more favorable than the traditionally assumed hexagonal structure…
Local structural distortions drive magnetic molecular field in compositionally complex spinel oxide
Rukma Nevgi, Subha Dey, Nandana Bhattacharya +8
Understanding how local distortions determine the functional properties of high entropy materials, containing five or more elements at a crystallographic site, is an open challenge…
First-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation
Emel Gurbuz, Murat Tas, Ersoy Sasioglu +3
The choice of exchange functional is a critical factor in determining the energy bandgap of semiconductors. Ab initio calculations using different exchange functionals, including t…