activity
20232026
most citedFirst-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation

8 citations · 12 across the 14 of their papers we have counts for

collaborators

14 papers

cond-mat.mes-hall2026

Novel 2D Altermagnetic Vanadium Oxide with a Buckled Lieb Structure

Tamer Taşkıran, Soheil Ershadrad, Biplab Sanyal +1

Altermagnetism has recently emerged as a highly promising phase for spintronics, offering the combined advantages of both antiferromagnets and ferromagnets. Here, using a first-pri…

cond-mat.mtrl-sci2026★ 1 cited

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…

cond-mat.str-el2026

Orientation-driven route to an intrinsic insulating ferromagnetic state in manganite superlattices

Priyanka Aggarwal, Kirill B. Agapev, Sagar Sarkar +3

Increasing precision in the growth of superlattices sparks hope in applications that may arise from engineering layered structures. Heterostructuring and functionalization of magne…

cond-mat.mes-hall2025

Electric field controlled second-order anomalous Hall effect in altermagnets

Arnob Mukherjee, Biplab Sanyal, Annica M. Black-Schaffer +1

Altermagnets are a recently discovered class of compensated magnets with momentum-dependent spin splittings and unusual transport properties, even without a net magnetization. In t…

cond-mat.mtrl-sci2025

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…

cond-mat.mes-hall2025

Néel-Vector-Orientation Induced Direction-Robust Spin Filtering in Two-Dimensional Altermagnets

Xin Chen, Jin Zou, Lipeng Song +6

Whether an antiferromagnet can host direction-robust spin-polarized transport without a conventional spin-selective band gap remains a central challenge in antiferromagnetic spintr…

cond-mat.mtrl-sci2025

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…

cond-mat.mes-hall2025

Lattice tuning of charge and spin transport in -borophene nanoribbons

Masoumeh Davoudiniya, Jonas Fransson, Biplab Sanyal

-borophene nanoribbons (BNRs) exhibit magnetic zigzag edges, while other edge configurations are nonmagnetic. However, when the source, central, and drain regions of a logi…

cond-mat.mes-hall2025

Efficient spin filtering through FeGeTe-based van der Waals heterostructures

Masoumeh Davoudiniya, Biplab Sanyal

Utilizing ab initio simulations, we study the spin-dependent electronic transport characteristics within FeGeTe-based van der Waals heterostructures. The electronic density…

cond-mat.mtrl-sci2025

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…

cond-mat.supr-con2025

Emergence of topological superconductivity in the presence of chiral magnetism in 2D CrInTe

Arnob Mukherjee, Fengyi Zhou, Soheil Ershadrad +3

We propose a general framework for designing a two-dimensional (2D) topological superconductor (TSC) using a magnet-superconductor hybrid system. This setup involves a monolayer of…

cond-mat.mtrl-sci2024★ 3 cited

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…

cond-mat.mtrl-sci2024

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…

cond-mat.mtrl-sci2023★ 8 cited

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…