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Two-dimensional (2D) materials are promising candidates for next-generation spintronic devices due to their tunable properties and potential for efficient spin-charge interconversion. However, discovering materials with intrinsically high…

Materials Science · Physics 2025-12-25 Abhijeet J. Kale , Sanjeev S. Navaratna , Pratik Sahu , Henry Chan , B. R. K. Nanda , Rohit Batra

The temperature dependent order parameter provides important information on the nature of magnetism. Using traditional methods to study this parameter in two-dimensional (2D) magnets remains difficult, however, particularly for insulating…

Ferromagnetism (FM) is the cornerstone of permanent magnets, data storage and other technologies that directly impact our everyday life by their implementation in standard applications and devices. When downscaling bulk materials into their…

Magnetic ordering in two-dimensional (2D) materials has recently emerged as a promising platform for data storage, computing, and sensing. To advance these developments, it is vital to gain a detailed understanding of how the magnetic order…

Moir\'e patterns made of two-dimensional (2D) materials represent highly tunable electronic Hamiltonians, allowing a wide range of quantum phases to emerge in a single material. Current modeling techniques for moir\'e electrons requires…

Mesoscale and Nanoscale Physics · Physics 2023-01-05 Diyi Liu , Mitchell Luskin , Stephen Carr

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been…

Materials Science · Physics 2022-03-07 Prashant Singh , Tyler Del Rose , Guillermo Vazquez , Raymundo Arroyave , Yaroslav Mudryk

Noncentrosymmetric materials play a critical role in many important applications such as laser technology, communication systems,quantum computing, cybersecurity, and etc. However, the experimental discovery of new noncentrosymmetric…

Computational Physics · Physics 2020-06-30 Yuqi Song , Joseph Lindsay , Yong Zhao , Alireza Nasiri , Steph-Yves Louis , Jie Ling , Ming Hu , Jianjun Hu

The discovery of intrinsic magnetic topological order in $\rm MnBi_2Te_4$ has invigorated the search for materials with coexisting magnetic and topological phases. These multi-order quantum materials are expected to exhibit new topological…

Two-dimensional (2D) materials have been a central focus of recent research because they host a variety of properties, making them attractive both for fundamental science and for applications. It is thus crucial to be able to identify…

Materials Science · Physics 2022-11-18 Mohammad Tohidi Vahdat , Kumar Agrawal Varoon , Giovanni Pizzi

Calculating magnetic properties of two-dimensional materials is crucial for implementing memory devices (like USB drive, RAM, hard disk drive of computers) having reduced size. Two dimensional materials can be implemented as a thin film…

Materials Science · Physics 2024-01-17 Md Rakibul Karim Akanda , D Mytri Wiggs , Nathaniel Zepeda

Two-dimensional (2D) ferromagnetic materials are considered as promising candidates for the future generations of spintronic devices. Yet, 2D materials with intrinsic ferromagnetism are scarce. High-throughput first-principles simulations…

Materials Science · Physics 2022-11-15 R. Meng , L. M. C. Pereira , J. P. Locquet , V. V. Afanas'ev , G. Pourtois , M. Houssa

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

Two-dimensional transition metal dichalcogenides (TMDs) can adopt one of several possible structures, with the most common being the trigonal prismatic and octahedral symmetry phases. Since the structure determines the electronic…

Materials Science · Physics 2022-09-20 Pankaj Kumar , Vinit Sharma , Sharmila Shirodkar , Pratibha Dev

Magnetism has witnessed remarkable progress in recent decades, largely driven by its potential for next-generation storage devices. However, the classification of magnetic orders, even for fundamental concepts such as ferromagnetism and…

Materials Science · Physics 2026-04-24 Yuntian Liu , Xiaobing Chen , Yutong Yu , Jesús Etxebarria , J. Manuel Perez-Mato , Qihang Liu

Molecular systems are materials that intersect with many different promising fields such as organic/molecular electronics and spintronics, organic magnetism and quantum computing1-7. Particularly, magnetism in organic materials is very…

The reliable identification of magnetic ground states remains a major challenge in high-throughput materials databases, where density functional theory (DFT) workflows often converge to ferromagnetic (FM) solutions. Here, we partially…

Materials Science · Physics 2026-03-24 Ahmed E. Fahmy

In this work we conduct a numerical search of non-trivial mechanisms, leading to new tendencies towards long-range ferromagnetic ordering in two-dimensional materials. For this purpose we employ an original variant of pairwise infinitesimal…

Materials Science · Physics 2022-01-03 I. V. Kashin , A. Gerasimov , E. V. Syrnikov

Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering temperature. In this work, we performed machine learning on…

Materials Science · Physics 2021-10-06 T. Long , N. M. Fortunato , Yixuan Zhang , O. Gutfleisch , H. Zhang

The application of machine learning in materials presents a unique challenge of dealing with scarce and varied materials data - both experimental and theoretical. Nevertheless, several state-of-the-art machine learning models for materials…

The recent discovery of two-dimensional (2D) magnets offers unique opportunities for the experimental exploration of low-dimensional magnetism4 and the magnetic proximity effects, and for the development of novel magnetoelectric,…