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The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Materials Science · Physics 2020-07-07 Victor Venturi , Holden Parks , Zeeshan Ahmad , Venkatasubramanian Viswanathan

The capabilities of image probe experiments are rapidly expanding, providing new information about quantum materials on unprecedented length and time scales. Many such materials feature inhomogeneous electronic properties with intricate…

Strongly Correlated Electrons · Physics 2023-05-12 S. Basak , M. Alzate Banguero , L. Burzawa , F. Simmons , P. Salev , L. Aigouy , M. M. Qazilbash , I. K. Schuller , D. N. Basov , A. Zimmers , E. W. Carlson

Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moir\'e patterns through a relative rotation between two layers. Here we begin a theoretical exploration of…

Moir\'e materials provide a highly tunable platform in which novel electronic phenomena can emerge. We study strained moir\'e materials in a uniform magnetic field and predict highly anisotropic electrical conductivity which switches…

Mesoscale and Nanoscale Physics · Physics 2024-06-21 Nisarga Paul , Philip J. D. Crowley , Liang Fu

This review synthesizes recent advancements in the study of moir\'e magnetism. This emerging field, at the intersection of twistronics, topology, and strongly correlated systems, explores novel phenomena that arise when moir\'e potentials…

Materials Science · Physics 2025-08-06 Paula Mellado

Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…

Materials Science · Physics 2019-04-12 Byung Chul Yeo , Donghun Kim , Chansoo Kim , Sang Soo Han

Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic and optoelectronic applications. Despite…

In twisted bilayers of semiconducting transition metal dichalcogenides (TMDs), a combination of structural rippling and electronic coupling gives rise to periodic moir\'e potentials that can confine charged and neutral excitations. Here, we…

Mesoscale and Nanoscale Physics · Physics 2021-05-04 Sara Shabani , Dorri Halbertal , Wenjing Wu , Mingxing Chen , Song Liu , James Hone , Wang Yao , Dmitri N. Basov , Xiaoyang Zhu , Abhay N. Pasupathy

Moir\'e materials with flat electronic bands provide a highly controllable quantum system for studies of strong-correlation physics and topology. In particular, angle-aligned heterobilayers of semiconducting transition metal dichalcogenides…

Strongly Correlated Electrons · Physics 2022-10-05 Yang Xu , Kaifei Kang , Kenji Watanabe , Takashi Taniguchi , Kin Fai Mak , Jie Shan

Electronic density of states (DOS) plays a crucial role in determining and understanding materials properties. We investigate the machine learnability of additive atomic contributions to electronic DOS, focusing on atom-projected DOS rather…

Materials Science · Physics 2025-08-26 A. Aryanpour , Ali Sadeghi

Two-dimensional materials are expected to play an important role in next-generation electronics and optoelectronic devices. Recently, twisted bilayer graphene and transition metal dichalcogenides have attracted significant attention due to…

The emerging ferroelectric properties of two-dimensional (2D) heterostructures are at the forefront of science and prospective technology. In moir\'e bilayers, twisting or heterostructuring causes local atomic reconstruction, which even at…

Materials Science · Physics 2025-03-18 Wilson Nieto Luna , Robin Smeyers , Cem Sevik , Lucian Covaci , Milorad V. Milošević

Twisted hexagonal boron nitride (thBN) exhibits emergent ferroelectricity due to the formation of moir\'e superlattices with alternating AB and BA domains. These domains possess electric dipoles, leading to a periodic electrostatic…

Topological materials with unconventional electronic properties have been investigated intensively for both fundamental and practical interests. Thousands of topological materials have been identified by symmetry-based analysis and ab…

Materials Science · Physics 2024-01-26 Haosheng Xu , Yadong Jiang , Huan Wang , Jing Wang

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

Liquid metals (LM) are embedded in an elastomer matrix to obtain soft composites with unique thermal, dielectric, and mechanical properties. They have applications in soft robotics, biomedical engineering, and wearable electronics. By…

Materials Science · Physics 2025-07-25 Abhijith Thoopul Anantharanga , Mohammad Saber Hashemi , Azadeh Sheidaei

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

Materials Science · Physics 2025-11-07 Yujie Liu , Zhenyu Wang , Hang Lei , Guoyu Zhang , Jiawei Xian , Zhibin Gao , Jun Sun , Haifeng Song , Xiangdong Ding

Materials with tailored quantum properties can be engineered from atomic scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here we…

Machine learning has emerged as a potent computational tool for expediting research and development in solid oxide fuel cell electrodes. The effective application of machine learning for performance prediction requires transforming…

Materials Science · Physics 2025-03-19 Maksym Szemer , Szymon Buchaniec , Tomasz Prokop , Grzegorz Brus

Moir\'e heterobilayers exhibiting spatially varying band alignment and electron and hole localization that can be precisely controlled through the twist angle have emerged as exciting platforms for studying complex quantum phenomena. While…