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Searching for two-dimensional (2D) organic Dirac materials, which have more adaptable practical applications in comparing with inorganic ones, is of great significance and has been ongoing. However, only two kinds of these materials with…

Materials Science · Physics 2017-11-15 Hongzhe Pan , Hongyu Zhang , Yuanyuan Sun , Jianfu Li , Youwei Du , Nujiang Tang

We investigated the initial growth of TiTe$_2$ on Au(111) from sub-monolayer to multi-layer coverage by scanning tunneling microscopy (STM), low-energy electron diffraction intensity analysis (LEED-IV), and density functional theory (DFT).…

We present a tight-binding (TB) model and $\mathbf{k\cdot p}$ theory for electrons in monolayer and few-layer InSe. The model is constructed from a basis of all $s$ and $p$ valence orbitals on both indium and selenium atoms, with…

Mesoscale and Nanoscale Physics · Physics 2017-01-05 S. J. Magorrian , V. Zólyomi , V. I. Fal'ko

Monolayer group-III monochalcogenides (MX, M = Ga, In; X = S, Se, Te), an emerging category of two-dimensional (2D) semiconductors, hold great promise for electronics, optoelectronics and catalysts. By first-principles calculations, we show…

Materials Science · Physics 2018-05-11 Si Zhou , Cheng-Cheng Liu , Jijun Zhao , Yugui Yao

We present a comprehensive first-principles investigation into the gas sensing capabilities of a novel two-dimensional Indium Oxide (In2O3) monolayer, using density functional theory (DFT) calculations. Targeting both resistive-type and…

Materials Science · Physics 2025-09-08 Afreen Anamul Haque , Suraj G. Dhongade , Aniket Singha

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually "localize" into an insulating ground state, and it has long been…

Superconductivity · Physics 2017-12-05 Nicholas P. Breznay , Aharon Kapitulnik

Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…

Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristic, is gaining increasing attention owing to its intriguing electronic properties. Here, by using first-principles…

Materials Science · Physics 2017-12-19 Andrey A. Kistanov , Yongqing Cai , Kun Zhou , Sergey V. Dmitriev , Yong-Wei Zhang

2H phase (trigonal prismatic D3h) of layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted a lot of interests due to the superior electronic and optoelectronic properties. However, flexible electronic devices…

Computational Physics · Physics 2019-06-04 Yi Wang , Zhibin Gao , Jun Zhou

We present a comprehensive study of the band alignments of two-dimensional (2D) semiconducting materials and highlight the possibilities of forming momentum-matched type I, II and III heterojunctions; an enticing possibility being atomic…

Materials Science · Physics 2016-07-13 V. Ongun Özçelik , Javad G. Azadani , Ce Yang , Steven J. Koester , Tony Low

We model electronic properties of the second monolayer Na adatom islands (quantum dots) on the Cu(111) surface covered homogeneously by the first Na monolayer. An axially-symmetric three-dimensional jellium model, taking into account the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 T. Torsti , V. Lindberg , M. J. Puska , B. Hellsing

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim

Metallic surface states on semiconducting substrates provide an opportunity to study low-dimensional electrons decoupled from the bulk. Angle resolved photoemission is used to determine the Fermi surface, group velocity, and effective mass…

Condensed Matter · Physics 2009-11-07 J. N. Crain , K. N. Altmann , Ch. Bromberger , F. J. Himpsel

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…

Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in…

Materials Science · Physics 2020-09-29 Sadegh Imani Yengejeh , William Wen , Yun Wang

Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site…

Materials Science · Physics 2009-11-11 K. Rytkönen , J. Akola , M. Manninen

Since recent both theoretical and experimental results have proved that the simple behaviour light alkaline metals present at equilibrium breaks when high pressures are applied, they have become an important object of study in Condensed…

Materials Science · Physics 2009-11-11 A. Rodriguez-Prieto , V. M. Silkin , A. Bergara , P. M. Echenique

We study a holographic D3/probe-D5-brane model of a double monolayer Dirac semimetal in a magnetic field and in the presence of a nonzero temperature. Intra- and inter-layer exciton condensates can form by varying the balanced charge…

High Energy Physics - Theory · Physics 2016-07-20 Gianluca Grignani , Andrea Marini , Adriano-Costantino Pigna , Gordon W. Semenoff

A two-dimensional (2D) material system with both piezoelectricity and ferromagnetic (FM) order, referred to as a 2D piezoelectric ferromagnetism (PFM), may open up unprecedented opportunities for intriguing physics. Inspired by…

Materials Science · Physics 2021-06-16 San-Dong Guo , Xiao-Shu Guo , Xiu-Xia Cai , Wen-Qi Mu , Wen-Cai Ren

Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…

Materials Science · Physics 2019-04-26 Stephanie A. Mack , Sinéad M. Griffin , Jeffrey B. Neaton
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