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Phosphorene and its components are highly reactive to oxygen when exposed to ambient conditions due to the presence of lone pairs of electrons on phosphorus atoms. Functionalization serves as a solution to prevent the chemical degradation…

We discuss an exactly solvable model Hamiltonian for describing the interacting electron gas in a quantum dot. Results for a spherical square well confining potential are presented. The ground state is found to exhibit striking oscillations…

Materials Science · Physics 2009-11-10 R. Saniz , B. Barbiellini , A. B. Denison , A. Bansil

We investigate theoretically the anisotropic electronic and optical behaviors of a monolayer black phosphorus (phosphorene) modulated by periodic potential superlattices in arbitrary directions. We demonstrate that different strength and…

Mesoscale and Nanoscale Physics · Physics 2019-12-17 Xiaojing Li , Wen Yang , Kun Luo , Zhenhua Wu

In this work, we have systematically investigated the structural, electronic, vibrational and optical properties of the edge-functionalized hg-C3N4 quantum dots with the aim of exploring their possible applications in solar cells and other…

Materials Science · Physics 2024-01-26 Khushboo Dange , Vaishali Roondhe , Alok Shukla

Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…

Chemical Physics · Physics 2019-04-26 Tanmay Mandal , Abhisek Ghosal , Amlan K. Roy

We investigate theoretically polygonal quantum rings and focus mostly on the triangular geometry where the corner effects are maximal. Such rings can be seen as short core-shell nanowires, a generation of semiconductor heterostructures with…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Anna Sitek , Llorenç Serra , Vidar Gudmundsson , Andrei Manolescu

A model of the non-concentric spherical core-shell quantum dot under the influence of an externally applied electric field was proposed. It was established that the energy spectrum of both the electron and the hole depends on the intensity…

Mesoscale and Nanoscale Physics · Physics 2024-12-31 R. Ya. Leshko , I. V. Bilynskyi , O. V. Leshko , M. Yu. Popov , A. O. Ocheretyanyi

Phosphorene, a single layer of black phosphorus, is a direct-band gap two-dimensional semiconductor with promising charge and spin transport properties. The electronic band structure of phosphorene is strongly affected by the structural…

Mesoscale and Nanoscale Physics · Physics 2019-09-25 Paulo E. Faria Junior , Marcin Kurpas , Martin Gmitra , Jaroslav Fabian

We present a symmetry analysis of electronic bandstructure including spin-orbit interaction close to the insulating gap edge in monolayer black phosphorus ('phosphorene'). Expressions for energy dispersion relation and spin-dependent…

Materials Science · Physics 2014-10-03 Pengke Li , Ian Appelbaum

A theoretical interpretation of the photoluminescence excitation spectra of self-organized polar GaN/(Al,Ga)N quantum dots is proposed. A numerical method assuming a realistic shape of the dots and including the built-in electric field…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 D. Elmaghraoui , M. Triki , S. Jaziri M. Leroux , J. Brault

We present a theoretical analysis of the phonon-assisted relaxation in a system composed of two self-assembled vertically stacked quantum dots. We construct realistic model, which takes into account the geometry and strain distribution in…

Mesoscale and Nanoscale Physics · Physics 2013-01-16 Krzysztof Gawarecki , Paweł Machnikowski

The fractional quantum Hall effect (FQHE) stands as a quintessential manifestation of an interacting two-dimensional electron system. One of FQHE's most fundamental characteristics is the energy gap separating the incompressible ground…

Mesoscale and Nanoscale Physics · Physics 2021-08-04 K. A. Villegas Rosales , P. T. Madathil , Y. J. Chung , L. N. Pfeiffer , K. W. West , K. W. Baldwin , M. Shayegan

The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…

Materials Science · Physics 2023-11-08 Patrizio Graziosi , Neophytos Neophytou

As the only non-carbon elemental layered allotrope, few-layer black phosphorus or phosphorene has emerged as a novel two-dimensional (2D) semiconductor with both high bulk mobility and a band gap. Here we report fabrication and transport…

An exchange correlation energy functional involving fractional power of the one-body reduced density matrix [Phys. Rev. B {\bf 78}, 201103 (2008)] is applied to finite systems and to the homogeneous electron gas. The performance of the…

Strongly Correlated Electrons · Physics 2015-05-13 N. N. Lathiotakis , S. Sharma , J. K. Dewhurst , F. Eich , M. A. L. Marques , E. K. U. Gross

Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers,…

Mesoscale and Nanoscale Physics · Physics 2017-10-16 L. L. Li , D. Moldovan , W. Xu , F. M. Peeters

We study a new system in which electrons in two dimensions are confined by a non homogeneous magnetic field. The system consists of a heterostructure with on top of it a superconducting disk. We show that in this system electrons can be…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 J. Reijniers , A. Matulis , F. M. Peeters

We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…

Condensed Matter · Physics 2009-10-28 O. Heinonen , M. I. Lubin , M. D. Johnson

A graphene quantum dot under intense ac field and static low magnetic field is investigated. From a tight-binding perspective, applying a Fourier-Floquet transformation and renormalization process, we observe that graphene -intrinsically…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 P. H. Rivera , A. L. C. Pereira , P. A. Schulz

Electronic properties of triangular and hexagonal nano-scale quantum dots (QDs) of Silicene and bilayer graphene are studied. It is shown that the low-energy edge-localized electronic states, existing within the size-quantized gap are…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Hazem Abdelsalam , T. Espinosa-Ortega , Igor Lukyanchuk