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We carry out both the tight-binding model and the $ab\ initio$ to study the layered silicene, the spin, valley, sublattice degrees of freedom are taken into consider and the effects of electric field, magnetic field, and even the light in…

Materials Science · Physics 2018-04-06 Chen-Huan Wu

Hydrogen adsorption by the metal organic framework (MOF) structure Zn2(BDC)2(TED) is investigated using a combination of experimental and theoretical methods. By use of the nonempirical van der Waals density-functional (vdW-DF) approach, it…

Materials Science · Physics 2009-11-13 Lingzhu Kong , Valentino R. Cooper , Nour Nijem , Kunhao Li , Jing Li , Yves J. Chabal , David C. Langreth

Our study of the adsorption of oxygen molecules on individual semiconductiong single-walled carbon nanotubes at ambient conditions reveals that the adsorption is physisorption, that the resistance without O2 increases by ~two orders of…

Materials Science · Physics 2009-11-11 A. Tchernatinsky , B. Nagabhirava , S. Desai , G. Sumanasekera , B. Alphenaar , C. S. Jayanthi , S. Y. Wu

It is known that there is a wide class of quasi-two-dimensional graphenelike nanomaterials which in many respects can outperform graphene. So, here in addition to graphene, the attention is directed to stanene (buckled honeycomb structure)…

Mesoscale and Nanoscale Physics · Physics 2019-10-02 S. Krompiewski

We theoretically predict a new topological matter - topological inhomogeneous Fulde-Ferrell superfluid - in one-dimensional atomic Fermi gases with equal Rashba and Dresselhaus spin-orbit coupling near s-wave Feshbach resonances. The…

Quantum Gases · Physics 2013-09-03 Xia-Ji Liu , Hui Hu

In this comprehensive study, we conduct a theoretical investigation into the Stark shift of topological states (TSs) in finite armchair graphene nanoribbons (AGNRs) and heterostructures under transverse electric fields. Our focus centers on…

Mesoscale and Nanoscale Physics · Physics 2024-11-12 David M T Kuo

We study the topological phases in spin-orbit coupled dipolar bosons in a one-dimensional optical lattice. The magnetic dipolar interactions between atoms give rise to the inter-site interactions. In the Mott-insulating regime, this system…

Quantum Gases · Physics 2014-12-02 H. T. Ng

This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the \emph{ab initio} band structure. The transport properties of…

Mesoscale and Nanoscale Physics · Physics 2025-02-18 C. J. Páez-González , C. E. Ardila-Gutiérrez , D. A. Bahamon

A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized…

Materials Science · Physics 2008-11-29 Oded Hod , Gustavo E. Scuseria

The large tunability of band gaps and optical absorptions of armchair MoS$_2$ nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe-Salpeter equation approaches. We…

Computational Physics · Physics 2022-11-02 Hong Tang , Bimal Neupane , Santosh Neupane , Shiqi Ruan , Niraj K. Nepal , Adrienn Ruzsinszky

We investigate the structure and electronic spectra properties of two-dimensional amorphous bismuthene structures and show that these systems are topological insulators. We employ realistic modeling of amorphous geometries together with…

Materials Science · Physics 2021-03-01 Bruno Focassio , Gabriel R. Schleder , Marcio Costa , Adalberto Fazzio , Caio Lewenkopf

We study the structural relaxation and electronic properties of a one-dimensional (1D) moir\'e system composed of a zigzag graphene nanoribbon (GNR) placed on a hexagonal boron nitride (hBN) substrate. Using an effective grid model derived…

Mesoscale and Nanoscale Physics · Physics 2026-03-24 Ryosuke Okumura , Naoto Nakatsuji , Takuto Kawakami , Mikito Koshino

We investigate the electronic, structural and topological properties of the SnTe and PbTe cubic nanowires using ab-initio calculations. Using standard and linear-scale density functional theory, we go from the ultrathin limit up to the…

Mesoscale and Nanoscale Physics · Physics 2026-01-14 Ghulam Hussain , Kinga Warda , Giuseppe Cuono , Carmine Autieri

Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…

Materials Science · Physics 2020-03-27 Tanmay Das , Sesha Vempati

The electronic properties of carbon nanotubes in a uniform transverse field are investigated within a single orbital tight-binding model. For doped nanotubes, the dielectric function is found to depend not only on symmetry of the tube, but…

Materials Science · Physics 2015-06-24 Yan Li , Slava V. Rotkin , Umberto Ravaioli

We present an exact analytical investigation of the topological properties and edge states of the Haldane model defined on a honeycomb lattice with zigzag edges. By exploiting translational symmetry along the ribbon direction, we perform a…

Mesoscale and Nanoscale Physics · Physics 2025-05-28 Ghassan Al-Mahmood , Mohsen Amini , Ebrahim Ghanbari-Adivi , Morteza Soltani

We investigate the properties of the two-dimensional model with Rashba-type spin-orbit coupling cubic in electron momentum. In the normal phase, edge states emerge on open boundaries. In the superconducting phase, edge states could evolve…

Superconductivity · Physics 2024-02-06 Haijiao Ji , Ning Zhang , Noah F. Q. Yuan

We explore the edge properties of rectangular graphene nanoribbons featuring two zigzag edges and two armchair edges. Although the self-consistent Hartree-Fock fields break chiral symmetry, our work demonstrates that graphene nanoribbons…

Mesoscale and Nanoscale Physics · Physics 2024-03-25 Hyun Cheol Lee , S. -R. Eric Yang

We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of…

Other Condensed Matter · Physics 2009-11-11 Engin Durgun , Salim Ciraci

We theoretically study the topological properties of the tight-binding model on the breathing kagome lattice with antisymmetric spin-orbit coupling (SOC) between nearest neighbors. We show that the system hosts nontrivial topological phases…

Mesoscale and Nanoscale Physics · Physics 2019-04-29 Adrien Bolens , Naoto Nagaosa