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Two-dimensional (2D) carbon allotropes have received considerable attention due to their unique properties and potential applications in several fields, including electronics, catalysis, energy storage, and sensing. Following the…

Single layers of carbon dubbed "graphenes", from which graphite is built, have attracted broad interest in the scientific community because of recent exciting experimental results. Graphene is interesting from a fundamental research…

Materials Science · Physics 2008-01-05 Yakov Kopelevich , Pablo Esquinazi

Linear nanotubular boron-carbon heterojunctions are systematically constructed and studied with the help of ab initio total energy calculations. The structural compatibility of the two classes of materials is shown, and a simple recipe that…

Materials Science · Physics 2007-05-23 Jens Kunstmann , Alexander Quandt

Numerical results for the polaron dispersion are presented for an arbitrary number of space dimensions. Upper and lower bounds are calculated for the dispersion curves. They are rather close to each other in the cases of small…

Other Condensed Matter · Physics 2009-11-13 Bernd Gerlach , Mikhail A. Smondyrev

This article describes the design features and the first test measurements obtained during the installation of a novel high resolution 2D neutron detection technique. The technique proposed in this work consists of a boron layer (enriched…

The generation and manipulation of non-classical states of light is central to quantum technologies. Color centers in insulators have been extensively studied for single-photon generation, but organic molecules immobilized on substrates…

Aiming to improve fabrication protocols for boron nitride and graphene (h-BNG) lateral heterostructures, we studied the growth of h-BNG thin films on platinum and their behavior in an oxygen environment. We employed a surface science…

We perform a precision study of radii in Boron isotopes for multiple realistic interactions from chiral effective field theory. We obtain predictions of radii with combined many-body and interaction uncertainty quantification from ab initio…

Nuclear Theory · Physics 2025-07-10 Tobias Wolfgruber , Tobias Gesser , Marco Knöll , Pieter Maris , Robert Roth

The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio…

Materials Science · Physics 2007-05-23 Jens Kunstmann , Alexander Quandt

The search of new superhard materials has received a strong impulse by industrial demands for low-cost alternatives to diamond and $c$-BN, such as metal borides. In this Letter we introduce a new family of superhard materials, "fused…

Materials Science · Physics 2021-08-18 Santanu Saha , Wolfgang von der Linden , Lilia Boeri

Two-dimensional (2D) boron has been predicted to show superconductivity. However, intrinsic 2D carbon and phosphorus have not been reported to be superconductors, which, inspires us to seek superconductivity in their mixture. Here we…

Superconductivity · Physics 2018-05-23 Bao-Tian Wang , Peng-Fei Liu , Tao Bo , Wen Yin , Fangwei Wang

Hexagonal boron nitride (hBN) presents valuable intrinsic properties and attracts considerable attention for the development of novel two-dimensional (2D) materials-based technologies. Even though huge efforts have been made to improve the…

Materials Science · Physics 2024-10-16 Camille Maestre , Philippe Steyer , Bérangère Toury , Catherine Journet , Vincent Garnier

First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…

Materials Science · Physics 2024-11-25 Daniel Bennett , Michele Pizzochero , Javier Junquera , Efthimios Kaxiras

Abstract Despite advances toward improving the quality of $p$-type 4H-SiC substrates and layers, we still have no model capable of accounting for the multitude of boron-related optical, junction, and paramagnetic resonance experiments…

Materials Science · Physics 2023-01-06 Vitor J. B. Torres , Ivana Capan , José Coutinho

The unique physical, mechanical, chemical, optical, and electronic properties of hexagonal boron nitride (hBN) make it a promising two-dimensional material for electronic, optoelectronic, nanophotonic, and quantum devices. Here we report on…

Materials Science · Physics 2023-06-26 E. Janzen , H. Schutte , J. Plo , A. Rousseau , T. Michel , W. Desrat , P. Valvin , V. Jacques , G. Cassabois , B. Gil , J. H. Edgar

Materials with thickness ranging from a few nanometers to a single atomic layer present unprecedented opportunities to investigate new phases of matter constrained to the two-dimensional plane.Particle-particle Coulomb interaction is…

Mesoscale and Nanoscale Physics · Physics 2021-10-27 A. Carvalho , P. E. Trevisanutto , S. Taioli , A. H. Castro Neto

A method of fast linear transform algorithm synthesis for an arbitrary tensor, matrix, or vector is proposed. The method is based on factorization of a tensor and using the factors for building computational structures performing fast…

Data Structures and Algorithms · Computer Science 2016-02-24 Pavel Dourbal

The doping of graphene to tune its electronic structure is essential for its further use in carbon based electronics. Adapting strategies from classical silicon based semiconductor technology, we use the incorporation of heteroatoms in the…

Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we…

Materials Science · Physics 2021-02-16 Jeffrey R. Reimers , A. Sajid , Rika Kobayashi , Michael J. Ford

Two dimensional materials are an emerging class of materials which is transforming the present day research activity on a phenomenal scale. Hexagonal boron nitride is a wide band gap 2D material which is an excellent substrate for graphene…

Materials Science · Physics 2020-02-18 Nilanjan Basu , Alapan Dutta , Ranveer Singh , Tapobrata Som , Jayeeta Lahiri