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Here, we report by first-principles calculations one new stable 2D Dirac material, Ta2Se3 monolayer. For this system, stable layered bulk phase exists, and exfoliation should be possible. Ta2Se3 monolayer is demonstrated to support two…

材料科学 · 物理学 2017-03-21 Yandong Ma , Yu Jing , Thomas Heine

Ion transport through nanopores permeates through many areas of science and technology, from cell behavior to sensing and separation to catalysis and batteries. Two-dimensional materials, such as graphene, molybdenum disulfide (MoS$_2$),…

介观与纳米尺度物理 · 物理学 2019-07-19 Subin Sahu , Michael Zwolak

The theoretical framework, which is built from the first-principles results, is successfully developed for investigating emergent two-dimensional (2D) materials, as it is clearly illustrated by carbon substitution in silicene. Computer…

计算物理 · 物理学 2019-12-03 Hai-Duong Pham , Shih-Yang Lin , Godfrey Gumbs , Nguyen Duy Khanh , Ming-Fa Lin

Based on recently synthesized Ni3C12S12 class 2D metal-organic frameworks, we predict electronic properties of M3C12S12 and M3C12O12, where M is Zn, Cd, Hg, Be, or Mg with no M orbital contributions to bands near Fermi level. For M3C12S12,…

材料科学 · 物理学 2016-12-22 Menghao Wu , Zhijun Wang , Junwei Liu , Huahua Fu , Lei Sun , Xin Liu , Minghu Pan , Hongming Weng , Mircea Dinca , Liang Fu , Ju Li

The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

材料科学 · 物理学 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

We examined high-pressure electronic structure of a single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, based on the crystal structure determined by single crystal…

材料科学 · 物理学 2020-12-02 Reizo Kato , Hengbo Cui , Takaaki Minamidate , Hamish H. -M. Yeung , Yoshikazu Suzumura

We present a first-principles investigation of the electronic structure of the inversion-symmetry-broken spin-orbit-coupled metal candidate PbRe$_2$O$_6$. Our calculations reveal that the Fermi surfaces derived from the $d_{yz}$ and…

材料科学 · 物理学 2026-04-29 Yuki Yanagi , Michi-To Suzuki

PdSb2 is a candidate for hosting 6-fold-degenerate exotic fermions (beyond Dirac and Weyl fermions).The nontrivial band crossing protected by the nonsymmorphic symmetry plays a crucial role in physical properties. We have grown high-quality…

Sodium-ion batteries (SIBs) have attracted a great deal of attention as potential low-cost energy storage alternatives to Lithium-ion batteries (LIBs) due to the intrinsic safety and great abundance of sodium on Earth. For developing…

材料科学 · 物理学 2020-09-01 Yang Zhang , Er-Hu Zhang , Ming-Gang Xia , Sheng-Li Zhang

The highly conductive layered metallic oxide \pdcoo{} is a near-perfect analogue to an alkali metal in two dimensions. It is distinguished from other two-dimensional electron systems where the Fermi surface does not reach the Brillouin zone…

强关联电子 · 物理学 2015-01-21 Ramzy Daou , Raymond Frésard , Sylvie Hébert , Antoine Maignan

The coupling of optical and electronic degrees of freedom together with quantum confinement in low-dimensional electron systems is particularly interesting for achieving exotic functionalities in strongly correlated oxide electronics.…

We explore the physics of novel fermion liquids emerging from conducting networks, where 1D metallic wires form a periodic 2D superstructure. Such structure naturally appears in marginally-twisted bilayer graphenes, moire transition metal…

强关联电子 · 物理学 2021-05-11 Jongjun M. Lee , Masaki Oshikawa , Gil Young Cho

Two-dimensional conjugated metal-organic frameworks (2D c-MOFs) are emerging as a unique class of 2D electronic materials. However, intrinsically semiconducting 2D c-MOFs with gaps in the Vis-NIR and high charge carrier mobility have been…

The advances in the growth techniques provide numerous scope to explore the possibilities of new 2D materials for potential applications. With the aid of first-principle calculations we show that 2D Na can be a new addition to the family of…

材料科学 · 物理学 2019-08-08 Ajit Jena , Wu Li

Topological Dirac semimetals (DSMs) exhibit nodal points through which energy bands disperse linearly in three-dimensional (3D) momentum space, a 3D analogue of graphene. The first experimentally confirmed DSMs with a pair of Dirac points…

材料科学 · 物理学 2017-01-11 Gang Li , Binghai Yan , Karsten Held

We found a new cobalt oxide (CaOH)1.14CoO2 by utilizing the high-pressure technique. X-ray and electron diffraction studies revealed that the compound has layer structure which consists of CdI2-type CoO2 layers and rock-salt-type double…

材料科学 · 物理学 2007-05-23 M. Shizuya , M. Isobe , Y. Baba , T. Nagai , M. Osada , K. Kosuda , S. Takenouchi , Y. Matsui , E. Takayama-Muromachi

We propose a novel class of two-dimensional (2D) Dirac materials in the MX family (M=Be, Mg, Zn and Cd, X = Cl, Br and I), which exhibit graphene-like band structures with linearly-dispersing Dirac-cone states over large energy scales…

材料科学 · 物理学 2020-05-18 Yan-Fang Zhang , Jinbo Pan , Huta Banjade , Jie Yu , Tay-Rong Chang , Hsin Lin , Arun Bansil , Shixuan Du , Qimin Yan

Higher superconducting critical temperature and large-area epsilon-near-zero interfaces are two long-standing goals of Condensed Matter Physics and Optics. Motivated by the recent advancements of experimental interests on metallic…

Searching for new states of matter and unusual quasiparticles in emerging materials and especially low-dimensional systems is one of the major trends in contemporary condensed matter physics. Dirac materials, which host quasiparticles which…

介观与纳米尺度物理 · 物理学 2017-10-13 C. A. Downing , M. E. Portnoi

Cadmium arsenide (Cd3As2) - a time-honored and widely explored material in solid-state physics - has recently attracted considerable attention. This was triggered by a theoretical prediction concerning the presence of 3D symmetry-protected…

介观与纳米尺度物理 · 物理学 2019-01-10 I. Crassee , R. Sankar , W. -L. Lee , A. Akrap , M. Orlita