Electronic characteristics of diamanes and diamane-based heterojunctions

IF 2.9 3区物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-03-24 DOI:10.1016/j.physe.2025.116248

K.S. Grishakov , V.B. Merinov , K.P. Katin , M.M. Maslov

引用次数: 0

Abstract

In the presented article, the electronic characteristics of various diamanes are calculated from the first principles within the density functional theory, and the band discontinuities in lateral diamane-based heterojunctions are determined. The exchange-correlation functionals PBE and HSE are used. It is shown that lateral heterojunctions formed by carbon and boron-nitride diamanes with a hydrogen surface coating belong to the heterojunctions of the second type. In the case of a lateral boundary between carbon and fluorinated diamanes, a heterojunction of the first type is formed. The possibility of a significant change in the electronic characteristics of quasi-two-dimensional diamanes due to mechanical deformations of tension and compression is demonstrated.

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来源期刊

Physica E-low-dimensional Systems & Nanostructures 物理-纳米科技

CiteScore

7.30

自引率

6.10%

发文量

356

审稿时长

65 days

期刊介绍： Physica E: Low-dimensional systems and nanostructures contains papers and invited review articles on the fundamental and applied aspects of physics in low-dimensional electron systems, in semiconductor heterostructures, oxide interfaces, quantum wells and superlattices, quantum wires and dots, novel quantum states of matter such as topological insulators, and Weyl semimetals. Both theoretical and experimental contributions are invited. Topics suitable for publication in this journal include spin related phenomena, optical and transport properties, many-body effects, integer and fractional quantum Hall effects, quantum spin Hall effect, single electron effects and devices, Majorana fermions, and other novel phenomena. Keywords: • topological insulators/superconductors, majorana fermions, Wyel semimetals; • quantum and neuromorphic computing/quantum information physics and devices based on low dimensional systems; • layered superconductivity, low dimensional systems with superconducting proximity effect; • 2D materials such as transition metal dichalcogenides; • oxide heterostructures including ZnO, SrTiO3 etc; • carbon nanostructures (graphene, carbon nanotubes, diamond NV center, etc.) • quantum wells and superlattices; • quantum Hall effect, quantum spin Hall effect, quantum anomalous Hall effect; • optical- and phonons-related phenomena; • magnetic-semiconductor structures; • charge/spin-, magnon-, skyrmion-, Cooper pair- and majorana fermion- transport and tunneling; • ultra-fast nonlinear optical phenomena; • novel devices and applications (such as high performance sensor, solar cell, etc); • novel growth and fabrication techniques for nanostructures