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Being a true two-dimensional crystal, graphene has special properties. In particular, a point-like defect in graphene may have effects in the long range. This peculiarity questions the validity of using a supercell geometry in an attempt to…

Materials Science · Physics 2015-06-05 Philippe Lambin , Hakim Amara , François Ducastelle , Luc Henrard

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…

Computational Physics · Physics 2016-03-17 Weiyang Yu , Zhili Zhu , Chun-Yao Niu , Chong Li , Jun-Hyung Cho , Yu Jia

In this paper I discuss the electronic structure and properties of a specific, rather unconventional class of transition metal (TM) compounds, e.g. TM oxides, which formally have unusually high values of the oxidation state, or valence, of…

Strongly Correlated Electrons · Physics 2007-05-23 D. Khomskii

In this communication we present together four distinct techniques for the study of electronic structure of solids : the tight-binding linear muffin-tin orbitals (TB-LMTO), the real space and augmented space recursions and the modified…

Mesoscale and Nanoscale Physics · Physics 2021-04-12 Banasree Sadhukhan , Arabinda Nayak , Abhijit Mookerjee

A new form of two-photon exchange(TPE) effect is studied to explain the discrepancy between unpolarized and polarized experimental data in elastic $ep$ scattering. The mechanism is based on a simple idea that apart from the usual TPE…

High Energy Physics - Phenomenology · Physics 2015-06-18 Hong-Yu Chen , Hai-Qing Zhou

The charge transport properties of individual, metallic nitrogen doped, single-walled carbon nanotubes are investigated. It is demonstrated that n-type conduction can be achieved by nitrogen doping. Evidence was obtained by appealing to…

Materials Science · Physics 2009-11-11 V. Krstic , G. L. J. A. Rikken , P. Bernier , S. Roth , M. Glerup

Two-dimensional (2d) nano-electronics, plasmonics, and emergent phases require clean and local charge control, calling for layered, crystalline acceptors or donors. Our Raman, photovoltage, and electrical conductance measurements combined…

The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…

Materials Science · Physics 2022-04-05 Nzar Rauf Abdullah , Botan Jawdat Abdullah , Vidar Gudmundsson

Graphene is an ideal platform to study the coherence of quantum interference pathways by tuning doping or laser excitation energy. The latter produces a Raman excitation profile that provides direct insight into the lifetimes of…

Mesoscale and Nanoscale Physics · Physics 2023-01-24 Xue Chen , Sven Reichardt , Miao-Ling Lin , Yu-Chen Leng , Yan Lu , Heng Wu , Rui Mei , Ludger Wirtz , Xin Zhang , Andrea C. Ferrari , Ping-Heng Tan

Due to its unique physical and chemical properties, graphene is being considered as a promising material for energy conversion and storage applications. Introduction of functional groups and dopants on/in graphene is a useful strategy for…

In this paper, the effect of B and N doping on the phonon induced thermal conductivity of graphene has been investigated. This study is important when one has to evaluate the usefulness of electronic properties of B and N doped graphene. We…

We achieve fine tuning of graphene effective doping by applying ultrahigh pressures (> 10 GPa) using Atomic Force Microscopy (AFM) diamond tips. Specific areas in graphene flakes are irreversibly flattened against a SiO2 substrate. Our work…

The effect of various dielectrics on charge mobility in single layer graphene is investigated. By calculating the remote optical phonon scattering arising from the polar substrates, and combining it with their effect on Coulombic impurity…

Materials Science · Physics 2015-05-13 Aniruddha Konar , Tian Fang , Debdeep Jena

We report here the charge transport behavior in graphene nanojunctions in which graphene nanodots, with relatively long relaxation time, are interfaced with ferromagnetic electrodes. Subsequently we explore the effect of substitutional…

Materials Science · Physics 2018-09-12 Subramani Amutha , Arijit Sen

We studied the effect of dopants (Al, Ti, Zr) on the thermal stability of iron nitride thin films prepared using a dc magnetron sputtering technique. Structure and magnetic characterization of deposited samples reveal that the thermal…

Materials Science · Physics 2014-10-15 Akhil Tayal , Mukul Gupta , Ajay Gupta , M. Horisberger , Jochen Stahn , Kai Schlage , H. -C. Wille

We study surface charge transfer doping of exfoliated black phosphorus (bP) flakes by copper using scanning tunneling microscopy (STM) and spectroscopy (STS) at room temperature. The tunneling spectra reveal a gap in correspondence of Cu…

Magneto-Raman scattering experiments from the surface of graphite reveal novel features associated to purely electronic excitations which are observed in addition to phonon-mediated resonances. Graphene-like and graphite domains are…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 C. Faugeras , M. Amado , P. Kossacki , M. Orlita , M. Kühne , A. A. L. Nicolet , Yu. I. Latyshev , M. Potemski

A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 at different doping concentrations has been carried out using time-of-flight momentum microscopy (including…

Density functional theory calculations suggest a pronounced hole electron doping asymmetry in a single layer graphene. It turns out that a single graphene sheet can sustain doping levels up to 0.1 holes or up to a remarkably large 1.9…

Superconductivity · Physics 2025-07-01 Dawid Ciszewski , Wojciech Grochala

The formation of atomic nanoclusters on suspended graphene sheets have been investigated by employing a Molecular dynamics simulation at finite temperature. Our systematic study is based on temperature dependent Molecular dynamics…

Materials Science · Physics 2009-11-13 M. Neek-Amal , Reza Asgari , M. R. Rahimi Tabar