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We present a comprehensive first-principles investigation of the structural, electronic, and vibrational properties of four layered boron nitride (BN) polymorphs--AA-stacked ($e$-BN), AA$^\prime$-stacked ($h$-BN), ABC-stacked ($r$-BN), and…

Materials Science · Physics 2025-05-23 Priyanka Mishra , Nevill Gonzalez Szwacki

The influence of GaN nanowires on the optical and electrical properties of graphene deposited on them was studied using Raman spectroscopy and microwave induced electron transport method. It was found that interaction with the nanowires…

Gallium nitride (GaN) as a wide-band gap material has been widely used in solid-state lighting. Thanks to its high nonlinearity and high refractive index contrast, GaN-on-insulator (GaNOI) is also a promising platform for nonlinear optical…

This study delves into the magneto-electronic and magneto-optical properties of stacking-modulated bilayer graphene. By manipulating domain walls (DWs) across AB-BA domains periodically, we unveil oscillatory Landau subbands and the…

Mesoscale and Nanoscale Physics · Physics 2024-03-14 Chiun-Yan Lin , Da-We Weng , Chih-Wei Chiu , Godfrey Gumbs

III-Nitride light emitting diodes (LEDs) are widely used in a range of high efficiency lighting and display applications, which have enabled significant energy savings in the last decade. Despite the wide application of GaN LEDs, transport…

GaN based high electron mobility transistors show promise in numerous device applications which elicits the need for accurate models of bulk, surface, and interface electronic properties. We detail here a hybrid density functional theory…

Materials Science · Physics 2021-10-20 Eric Welch , Luisa Scolfaro

As fundamental one-dimensional defects, screw dislocations profoundly reshape the energy landscape and carrier dynamics of crystalline materials. By restoring the exact algebra of the screw dislocation group, we unveil the latent symmetry…

Materials Science · Physics 2026-04-23 Yuncheng Xie , Haozhe Shi , Menglin Huang , Weibin Chu , Shiyou Chen , Xin-Gao Gong

We investigate the effect of shear and strain in graphene bilayers, under conditions where the distortion of the lattice gives rise to a smooth one-dimensional modulation in the stacking sequence of the bilayer. We show that strain and…

Mesoscale and Nanoscale Physics · Physics 2016-11-03 J. Gonzalez

This paper investigates strain effects on the electronic and optical properties of monolayer GaSe using first-principles calculations. The deformation significantly alters energy dispersion, band gap, and the band edge states of GaSe. The…

Materials Science · Physics 2023-01-03 Vo Khuong Dien , Nguyen Thi Han , Wei-Bang Li , Kuang-I Lin , Ming-Fa Lin

We report the infrared transmission measurement on electrically gated twisted bilayer graphene. The optical absorption spectrum clearly manifests the dramatic changes such as the splitting of inter-linear-band absorption step, the shift of…

Materials Science · Physics 2019-11-11 Kwangnam Yu , Van Luan Nguyen , Tae Soo Kim , Jiwon Jeon , Jiho Kim , Pilkyung Moon , Young Hee Lee , E. J. Choi

The important experimental advances in graphene fabrication and its peculiar transport properties motivated researchers to utilize graphene as a potential basis for the next generation of fast and smart electronic devices. In this article,…

Mesoscale and Nanoscale Physics · Physics 2018-05-29 Hasan M. Abdullah , H. Bahlouli

The geometric, electronic and magnetic properties of silicene-related systems present the diversified phenomena through the first-principles calculations. The critical factors, the group-IV monoelements, buckled/planar structures, stacking…

Materials Science · Physics 2020-12-02 Hsin-yi Liu , Shih-Yang Lin , Jhao-ying Wu

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…

Materials Science · Physics 2010-11-10 J. Slawinska , I. Zasada , Z. Klusek

Strain, both naturally occurring and deliberately engineered, can have a considerable effect on the structural and electronic properties of 2D and layered materials. Uniaxial or biaxial heterostrain modifies the stacking arrangement of…

Materials Science · Physics 2022-10-19 Nina C. Georgoulea , Stephen R. Power , Nuala M. Caffrey

In this work, we present conception and study of gallium nitride (GaN) nanostructures on a gallium arsenide (GaAs) substrate with (111)A orientation. The nanostructures were designed by GaN droplet epitaxy and studied in-situ by X-ray…

Electron transport in bilayer graphene is studied by using a first principles analysis and theMonte Carlo simulation under conditions relevant to potential applications. While the intrinsic properties are found to be much less desirable in…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 X. Li , K. M. Borysenko , M. Buongiorno Nardelli , K. W. Kim

The recent progress in formation of two-dimensional (2D) GaN by a migration-enhanced encapsulated technique opens up new possibilities for group III-V 2D semiconductors with a band gap within the visible energy spectrum. Using…

Materials Science · Physics 2017-11-01 C. Pashartis , O. Rubel

Electronic and transport properties of bilayer heterostructure under light irradiation are of fundamental interest to improve functionality of optoelectronic devices. We theoretically study the modification of transport properties of…

Mesoscale and Nanoscale Physics · Physics 2023-02-16 Pascal Stadler , Mikael Fogelström

A conversion of AA- to AB-stacking bilayer graphene (BLG) due to interlayer interaction is demonstrated. Two types of interlayer interactions, an attractive and a repulsive, between the Boron and Nitrogen dopant atoms in BLG are found. In…

Mesoscale and Nanoscale Physics · Physics 2022-04-05 Nzar Rauf Abdullah , Hunar Omar Rashid , Chi-Shung Tang , Andrei Manolescu , Vidar Gudmundsson