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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

Two dimensional transition metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO,…

Materials Science · Physics 2022-01-06 Raúl Bombín , Maite Alducin , Iñaki Juaristi

We calculate the magnetoconductivity tensor of a 2D electron gas in a 1D periodic potential and quantising magnetic fields. We study the internal structure of the Shubnikov-de Haas peaks and analyse recent experimental results. The…

Condensed Matter · Physics 2007-05-23 Andrei Manolescu , Rolf R. Gerhardts

The anisotropy of the electronic transition is an important physical property not only determining the materials' optical property, but also revealing the underlying character of the electronic states involved. Here we used…

Materials Science · Physics 2016-03-09 Jinhua Hong , Kun Li , Chuanhong Jin , Xixiang Zhang , Ze Zhang , Jun Yuan

Low-temperature transport spectroscopy measurements on a quantum dot lithographically defined in a multiwall $\mathrm{MoS}_2$ nanotube are demonstrated. At $T=300\,\mathrm{mK}$, clear Coulomb blockade is observed, with charging energies in…

Mesoscale and Nanoscale Physics · Physics 2019-11-12 Simon Reinhardt , Luka Pirker , Christian Bäuml , Maja Remškar , Andreas K. Hüttel

A monolayer of molecules or quantum dots sandwiched between electrodes can be driven out of equilibrium by the application of a bias voltage between the electrodes. We study charge ordering, i.e., the spontaneous formation of a charge…

Statistical Mechanics · Physics 2016-11-28 Tim Ludwig , Carsten Timm

The influence of an external electric field on single-layer transition-metal dichalcogenides TX2 with T = Mo, W and X = S, Se (MoWSeS) have been investigated by means of density-functional theory within two-dimensional periodic boundary…

Materials Science · Physics 2017-09-13 Nourdine Zibouche , Pier Philipsen , Thomas Heine , Agnieszka Kuc

We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…

Mesoscale and Nanoscale Physics · Physics 2016-01-19 Csaba G. Péterfalvi , Andor Kormányos , Guido Burkard

We calculate the ground-state of a two-dimensional electron gas in a short-period lateral potential in magnetic field, with the Coulomb electron-electron interaction included in the Hartree-Fock approximation. For a sufficiently short…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Andrei Manolescu , Vidar Gudmundsson

The quasiparticle band-gap renormalization induced by the doped carriers is an important and well-known feature in two-dimensional semiconductors, including transition-metal dichalcogenides (TMDs), and it is of both theoretical and…

Mesoscale and Nanoscale Physics · Physics 2021-09-01 Azadeh Faridi , Dimitrie Culcer , Reza Asgari

The effective electron-electron interaction in the electron gas depends on both the density and spin local field factors. Variational Diagrammatic Quantum Monte Carlo calculations of the spin local field factor are reported and used to…

Quantum Gases · Physics 2021-01-27 Carl A. Kukkonen , Kun Chen

Large capacitance enhancement is useful for increasing the gate capacitance of field-effect transistors (FETs) to produce low-energy-consuming devices with improved gate controllability. We report strong capacitance enhancement effects in a…

The design of low-dimensional organic-inorganic interfaces for the next generation of opto-electronic applications requires an in-depth understanding of the microscopic mechanisms ruling electronic interactions in these systems. In this…

A quantitative description of Coulomb interactions is developed for two-dimensional superconducting materials, enabling us to compare intrinsic with external screening effects, such as those due to substrates. Using the example of a doped…

Superconductivity · Physics 2016-10-07 G. Schönhoff , M. Rösner , R. Groenewald , S. Haas , T. O. Wehling

The electronic structure of Nickel dichalcogenides, NiS$_2$ and NiSe$_2$, in monolayer form, is studied employing first-principles methods. We assess the importance of band ordering, covalency and Coulomb interactions in the ground state of…

Mesoscale and Nanoscale Physics · Physics 2023-12-19 Sergio Bravo , P. A. Orellana , L. Rosales

We solve two-dimensional model of $N$-component dense electron gas in the limit of large $N$ and in a range of the Coulomb interaction parameter: $N^{-3/2}\ll r_s\ll 1$. The quasiparticle interaction on the Fermi circle vanishes as 1/N. The…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. V. Iordanski , A. Kashuba

We investigate the magnetic properties and Mott transition in the Hubbard model for weakly coupled chains on the anisotropic triangular lattice. Taking into account 120$^\circ$ N\'eel, and collinear orderings, the magnetic phase diagram is…

Strongly Correlated Electrons · Physics 2015-06-22 Atsushi Yamada

The properties of a two-dimensional electron gas (2DEG) in a semiconductor host with two valleys related by an underlying $C_4$ rotational symmetry are studied using Hartree-Fock (HF) and various other many-body approaches. A familiar…

Strongly Correlated Electrons · Physics 2025-07-08 Vladimir Calvera , Agnes Valenti , Sebastian D. Huber , Erez Berg , Steven A. Kivelson

We develop a microscopic theory of the Coulomb drag effect in a hybrid system consisting of spatially separated two-dimensional quantum gases of degenerate electrons and dipolar excitons. We consider both the normal-phase and condensate…

Mesoscale and Nanoscale Physics · Physics 2019-04-17 M. V. Boev , V. M. Kovalev , I. G. Savenko

We consider a model with competing double-exchange (ferromagnetic) and super-exchange (anti-ferromagnetic) interactions in the regime where phase separation takes place. The presence of a long range Coulomb interaction frustrates a…

Strongly Correlated Electrons · Physics 2009-01-05 Gideon Wachtel , Dror Orgad , D. I. Golosov