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The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga $3d$ electrons are treated as band states, and no shape approximation…

Condensed Matter · Physics 2009-10-22 Vincenzo Fiorentini , Michael Methfessel , Matthias Scheffler

As the characteristic dimensions of modern top-down devices are getting smaller, such devices reach their operational limits given by quantum mechanics. Thus, two-dimensional (2D) structures appear as one of the best solutions to meet the…

AlGaN plays a vital role in hetero-structure high electron mobility transistor by employing a two-dimensional electron gas and as electron blocking layer in the multi quantum well light emitting diodes. Nevertheless, the incorporation of Al…

Materials Science · Physics 2017-06-01 Santanu Parida , P. Magudapathy , A. K. Sivadasan , Ramanathaswamy Pandian , Sandip Dhara

Tuning the opto-electronic properties through alloying is essential for semiconductor technology. Currently, mostly isovalent and isostructural alloys are used (e.g., group-IV and III-V), but a vast and unexplored space of novel functional…

Materials Science · Physics 2014-07-02 Vladan Stevanovic , Andriy Zakutayev , Stephan Lany

High-conductivity undoped GaN/AlN 2D hole gases (2DHGs), the p-type dual of the AlGaN/GaN 2D electron gases (2DEGs), have offered valuable insights into hole transport in GaN and enabled the first GaN GHz RF p-channel FETs. They are an…

Mesoscale and Nanoscale Physics · Physics 2021-07-28 Reet Chaudhuri , Zhen Chen , David Muller , Huili Grace Xing , Debdeep Jena

Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…

Mesoscale and Nanoscale Physics · Physics 2016-10-31 Xue-Jing Zhang , Bang-Gui Liu

Electronic properties of III-V semiconductor alloys are examined using first principles with the focus on the spatial localization of electronic states. We compare localization at the band edges due to various isovalent impurities in a host…

Materials Science · Physics 2017-06-15 C. Pashartis , O. Rubel

ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study,…

Materials Science · Physics 2020-09-04 Yang Zhang , Zhi-Feng Wu , Peng-Fei Gao , Dang-Qi Fang , Sheng-Li Zhang

The substitution of Mn in the III-V diluted magnetic semiconductors leads to a strong electron scattering on impurities. Besides the features induced in the valence band by the hybridization with the Mn d-states, also the conduction band is…

Materials Science · Physics 2007-05-23 J. Masek , F. Maca

A two-dimensional (2D) monolayer of a novel ternary nitride Zn2VN3 is computationally designed, and its dynamical and thermal stability is demonstrated. A synthesis strategy is proposed based on experimental works on production of ternary…

Materials Science · Physics 2023-01-30 Andrey A. Kistanov , Stepan A. Shcherbinin , Elena A. Korznikova , Oleg V. Prezhdo

Over the last decade, progress in wide bandgap, III-V materials systems based on gallium nitride (GaN) has been a major driver in the realization of high power and high frequency electronic devices. Since the highly conductive,…

Transitioning to solid-state ultraviolet (UV) lighting is critical for reducing global energy utilization to meet net-zero targets. AlGaN-based far-UVC LEDs offer a mercury-free, energy-efficient alternative to conventional mercury lamps,…

Materials Science · Physics 2026-03-18 Ling Zhang , Miao Zhou , Alex M. Ganose

Electrical and optical characterization of two-dimensional/three-dimensional (2D/3D) p-molybdenum disulfide/n-gallium nitride (p-MoS2/n-GaN) heterojunction diodes are reported. Devices were fabricated on high-quality, large-area p-MoS2…

Owing to the large breakdown electric field, wide bandgap semiconductors such as SiC, GaN, Ga2O3 and diamond based power devices are the focus for next generation power switching applications. The unipolar trade-off relationship between the…

Materials Science · Physics 2016-11-17 Huili Grace Xing , Bo Song , Mingda Zhu , Zongyang Hu , Meng Qi , Kazuki Nomoto , Debdeep Jena

Extreme lattice-mismatched III-V nitrides, such as Bi-incorporated GaN, have been realized experimentally thanks to recent advances in epitaxial growth and characterization techniques. However, theoretical insights into defect-related…

Materials Science · Physics 2025-07-03 Yujie Liu , Ishtiaque Ahmed Navid , Zetian Mi , Emmanouil Kioupakis

Successful synthesis of the nitrogenated holey two-dimensional structures C2N (Nat. Commun. 2015, 6, 1-7) using simply wet-chemical reaction offer a cost-effective way to generate other 2D materials with novel optical and electronic…

Materials Science · Physics 2015-05-12 Ruiqi Zhang , Bin Li , Jinlong Yang

Identifying applicable anode materials is a significant task for Li- and Na-ion battery (LIB and NIB) technologies. We propose the GaN monolayer (2D GaN) can be a good anode candidate. The GaN monolayer manifests stable Li/Na adsorption and…

Materials Science · Physics 2018-12-31 Xiaoming Zhang , Lei Jin , Xuefang Dai , Guifeng Chen , Guodong Liu

The band gap engineering of group IV semiconductors has not been well explored theoretically and experimentally, except for SiGe. Recently, GeSn has attracted much attention due to the possibility of obtaining a direct band gap in this…

Materials Science · Physics 2022-03-22 Maciej P Polak , Paweł Scharoch , Robert Kudrawiec

The spectrum of two-dimensional (2D) materials beyond graphene offers a remarkable platform to study new phenomena in condensed matter physics. Among these materials, layered hexagonal boron nitride (hBN), with its wide bandgap energy…

We theoretically investigate Sn(II) phosphates as optoelectronic materials using first principles calculations. We focus on known prototype materials Sn$_n$P$_2$O$_{5+n}$ (n=2, 3, 4, 5) and a previously unreported compound, SnP$_2$O$_6$…

Materials Science · Physics 2016-12-06 Qiaoling Xu , Yuwei Li , Lijun Zhang , Weitao Zheng , David J. Singh , Yanming Ma
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