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Doping in two-dimensional materials has emerged as an effective tool for modulating their electronic properties and thereby enabling their multifunctional applications. In this work, we present a first-principles study on induced effective…

材料科学 · 物理学 2026-05-29 Shivani Kumawat , Sunil Kumar , B. K. Mani

Ferroelectric materials have remained one of the foci of condensed matter physics and materials science for over 50 years. In the last 20 years, the development of voltage-modulated scanning probe microscopy techniques, exemplified by…

材料科学 · 物理学 2017-01-06 Rama K. Vasudevan , Nina Balke , Peter Maksymovych , Stephen Jesse , Sergei V. Kalinin

Out-of-plane and in-plane electric polarization, which rarely coexist in a two-dimensional (2D) ferroelectric material, offer different advantages in ferroelectricity-based devices. Here, we report the coexistence of in-plane and…

材料科学 · 物理学 2026-03-24 A. D. Molchanova , L. H. Yin , L. P. Gao , W. H. Song , Y. P. Sun , K. R. Allahverdiyev , M. N. Popova

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…

材料科学 · 物理学 2022-11-15 R. Meng , L. M. C. Pereira , J. P. Locquet , V. V. Afanas'ev , G. Pourtois , M. Houssa

Contribution of d-electron to ferroelectricity of type-II multiferroics causes strong magneto-electric coupling and distinguishes them from the conventional type-I multiferroics. However, their therein polarization is too small because the…

材料科学 · 物理学 2019-06-05 Hengxin Tan , Menglei Li , Haitao Liu , Zhirong Liu , Yuanchang Li , Wenhui Duan

The intertwined ferroelectricity and band topology will enable the non-volatile control of the topological states, which is of importance for nanoelectrics with low energy costing and high response speed. Nonetheless, the principle to…

材料科学 · 物理学 2021-02-16 Yan Liang , Ning Mao , Ying Dai , Liangzhi Kou , Baibiao Huang , Yandong Ma

We demonstrate how hybridization between a two-dimensional material and its substrate can lead to an apparent heavy doping, using the example of monolayer TaS$_2$ grown on Au(111). Combining $\textit{ab-initio}$ calculations, scanning…

Transition metal dichalcogenides (TMDs) are two-dimensional (2D) materials with remarkable electrical, optical and chemical properties. One promising strategy to tailor TMD properties of TMDs is to create alloys through dopant-induced…

材料科学 · 物理学 2023-05-24 Mengqi Fang , Eui-Hyeok Yang

The quest for electric-field control of nanoscale magnetic states such as skyrmions, which would impact the field of spintronics, has led to a challenging search for multiferroic materials or structures with strong magnetoelectric coupling…

材料科学 · 物理学 2023-10-24 Xin Jin , Andrew O'Hara , Yu-Yang Zhang , Shixuan Du , Sokrates T. Pantelides

We employ density functional theory to study in detail the crystallization of super-paramagnetic particles in two dimensions under the influence of an external magnetic field that lies perpendicular to the confining plane. The field induces…

软凝聚态物质 · 物理学 2009-11-13 Sven van Teeffelen , Hartmut Löwen , Christos N. Likos

Ferroelectricity-the switchable intrinsic electric polarization-has not yet been attained in a metal experimentally and is in fact generally deemed irreconcilable with free carriers, although polar metal has been achieved recently.…

A strong coupling between electric polarization and elastic deformation in solids is an important factor in creating useful electromechanical nanodevices. Such coupling is typically allowed in insulating materials with inversion symmetry…

Ferroelectric tunnel junctions, in which ferroelectric polarization and quantum tunneling are closely coupled to induce the tunneling electroresistance (TER) effect, have attracted considerable interest due to their potential in…

材料科学 · 物理学 2019-06-11 Xin-Wei Shen , Yue-Wen Fang , Bo-Bo Tian , Chun-Gang Duan

Light-matter interaction is one of the key routes to understanding and manipulating geometric and electronic behaviors of materials, especially two-dimensional materials which are optically accessible owing to their high surface to volume…

材料科学 · 物理学 2022-03-10 Jian Zhou

A monoclinic phase was recently discovered near the morphotropic phase boundary in several high-performance piezoelectric perovskite solid solutions, but its properties have not been reported. In this paper the dielectric, piezo- and…

材料科学 · 物理学 2016-08-31 A. A. Bokov , Z. -G. Ye

Compared to the well studied two-dimensional (2D) ferroelectricity, much rare is the appearance of 2D antiferroelectricity, where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orientated. Using NbOCl2…

材料科学 · 物理学 2025-08-22 Jiawei Mao , Yinglu Jia , Gaoyang Gou , Shi Liu , Xiao Cheng Zeng

Recent observations of unusual ferroelectricity in thin films of HfO_2 and related materials have attracted broad interest to the materials and led to the emergence of a number of competing models for observed behaviors. Here we develop the…

材料科学 · 物理学 2018-11-27 Maya D. Glinchuk , Anna N. Morozovska , Yunseok Kim , Sergei V. Kalinin

We consider theoretically the possibility of coexisting ferroelectric and metallic altermagnetic order, which has recently been predicted in insulating and semiconducting systems via ab initio calculations. Solving self-consistently a…

材料科学 · 物理学 2025-10-31 Chi Sun , Jacob Linder

Ferroelectric and two-dimensional materials are both heavily investigated classes of electronic materials. This is unsurprising since they both have superlative fundamental properties and high-value applications in computing, sensing etc.…

应用物理 · 物理学 2024-05-10 Chloe Leblanc , Seunguk Song , Deep Jariwala

We recently studied a doped two-dimensional bosonic Hubbard model with two hard-core species, with different masses, using quantum Monte Carlo simulations [Phys. Rev. B 88, 161101(R) (2013)]. Upon doping away from half-filling, we find…