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Despite considerable efforts, accurate computations of electron-phonon and carrier transport properties of low-dimensional materials from first principles have remained elusive. By building on recent advances in the description of…

Materials Science · Physics 2023-05-03 Samuel Poncé , Miquel Royo , Marco Gibertini , Nicola Marzari , Massimiliano Stengel

Two-dimensional (2D) strongly correlated electron systems underlie many of the most important phenomena in contemporary condensed matter physics, including the Quantum Hall Effect (QHE), ``high T_c'' superconductivity, and possible exotic…

Strongly Correlated Electrons · Physics 2007-05-23 S. Mazumdar , R. T. Clay , D. K. Campbell

Using nonequilibrium Monte Carlo simulations of the phonon Boltzmann transport equation, we study transient heat transfer in five indium-based two-dimensional monolayers: Janus monolayers In$_2$SeTe and In$_2$SSe, pristine InSe, and InSe…

Applied Physics · Physics 2025-06-11 Seyedeh Ameneh Bahadori , Zahra Shomali , Reza Asgari

Emerging two-dimensional (2D) materials bring unprecedented opportunities for electronic applications. The design of high-performance devices requires an accurate prediction of carrier mobility in 2D materials, which can be obtained using…

Materials Science · Physics 2024-04-16 Jiaqi Zhou , Samuel Poncé , Jean-Christophe Charlier

Two-dimensional (2D) superconductors have attracted great attention in recent years due to the possibility of new phenomena in lower dimensions. With many bulk transition metal carbides being well-known conventional superconductors, here we…

Superconductivity · Physics 2017-02-14 Jincheng Lei , Alex Kutana , Boris I. Yakobson

3D printing mechanically flexible composite materials with high electrical conductivity is currently hindered by the need to use high loading of conductive filler, which severely limits flexibility. Here, microstructural patterning of…

In the archetypal monolayer semiconductor WSe$_2$, the distinct ordering of spin-polarized valleys (low-energy pockets) in the conduction band allows for studies of not only simple neutral excitons and charged excitons (i.e., trions), but…

Materials Science · Physics 2022-08-15 Dinh Van Tuan , Su-Fei Shi , Xiaodong Xu , Scott A. Crooker , Hanan Dery

Two-dimensional (2D) indium monoselenide (InSe) has attracted significant attention as a III-VI two-dimensional semiconductor (2D) with a combination of favorable attributes from III-V semiconductors as well as van der Waals 2D transition…

Two-dimensional (2D) materials with multifunctional properties, such as negative Poisson's ratio (NPR), magnetism, catalysis, and energy storage capabilities, are of significant interest for advanced applications in flexible electronics,…

Mesoscale and Nanoscale Physics · Physics 2025-01-22 Haidi Wang , Wei Lin , Weiduo Zhu , Zhao Chen , Zhongjun Li , Xiaofeng Liu

Two-dimensional ultrawide bandgap materials, with bandgaps significantly wider than 3.4 eV, have compelling potential advantages in nano high-power semiconductor, deep-ultraviolet optoelectronics, and so on. Recently, two-dimensional…

Materials Science · Physics 2020-10-28 Yanfeng Ge , Wenhui Wan , Yulu Ren , Fei Li , Yong Liu

SnSe monolayer with orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the…

Computational Physics · Physics 2016-03-17 Qingxia Wang , Weiyang Yu , Xiaonan Fu , Chong Qiao , Congxin Xia , Yu Jia

Two-dimensional (2D) semiconductors are promising candidates for optoelectronic application and quantum information processes due to their inherent out-of-plane 2D confinement. In addition, they offer the possibility of achieving…

Searching for materials with single atom-thin as well as planar structure, like graphene and borophene, is one of the most attractive themes in two dimensional materials. Herein, using density functional theory calculations, we have…

Materials Science · Physics 2024-09-17 Jun-Hui Yuan , Biao Zhang , Ya-Qian Song , Jia-Fu Wang , Kan-Hao Xue , Xiang-Shui Miao

Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…

Materials Science · Physics 2014-03-04 Mahdi Ghorbani-Asl , Andrey N. Enyashin , Agnisezka Kuc , Gotthard Seifert , Thomas Heine

Monolayer semiconductors are atomically thin quantum wells with strong confinement of electrons in two-dimensional (2D) plane. Here, we experimentally study the out-of-plane polarizability of excitons in hBN-encapsulated monolayer WSe$_{2}$…

Mesoscale and Nanoscale Physics · Physics 2019-02-19 Ivan A. Verzhbitskiy , Daniele Vella , Kenji Watanabe , Takashi Taniguchi , Goki Eda

Group IV and V monolayers are the promising state-of-the-art 2D materials owing to their high carrier mobility, tunable bandgaps, and optical linear dichroism along with outstanding electronic and thermoelectric properties. Furthermore,…

Computational Physics · Physics 2021-07-07 X. Q. Shu , J. H. Lin , H. Zhang

The electron transport properties of atomically thin semiconductors such as MoS2 have attracted significant recent scrutiny and controversy. In this work, the scattering mechanisms responsible for limiting the mobility of single layer…

Mesoscale and Nanoscale Physics · Physics 2014-03-25 Nan Ma , Debdeep Jena

Carrier and phonon dynamics in a multilayer WSe2 film are captured by extreme ultraviolet (XUV) transient absorption (TA) spectroscopy at the W N6,7, W O2,3, and Se M4,5 edges (30-60 eV). After the broadband optical pump pulse, the XUV…

Materials Science · Physics 2023-03-06 Juwon Oh , Hung-Tzu Chang , Christopher T. Chen , Shaul Aloni , Adam Schwartzberg , Stephen R. Leone

An increasing number of two-dimensional (2D) materials have already been achieved experimentally or predicted theoretically, which have potential applications in nano- and opto-electronics. Various applications for electronic devices are…

Materials Science · Physics 2018-10-17 San-Dong Guo , Jiang-Tao Liu

Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…

Materials Science · Physics 2020-09-28 Shunda Chen , Virginia L. Johnson , Davide Donadio , Kristie J. Koski
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