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Using full potential density functional calculations within local density approximation (LDA), we found strain tunable band gaps of two-dimensional (2D) hexagonal BN (h-BN) and AlN (h-AlN) by application of in-plane homogeneous biaxial…

Materials Science · Physics 2012-06-15 Harihar Behera , Gautam Mukhopadhyay

The versatile range of applications for two-dimensional (2D) materials has encouraged scientists to further engineer the properties of these materials. This is often accomplished by stacking layered materials into more complex van der Waals…

Ultra-wide bandgap (UWBG) materials hold immense potential for high-power RF electronics and deep ultraviolet photonics. Among these, AlGaN emerges as a promising candidate, offering a tunable bandgap from 3.4 eV (GaN) to 6.1 eV (AlN) and…

AlN is an ultra-wide bandgap semiconductor which has been developed for applications including power electronics and optoelectronics. Thermal management of these applications is the key for stable device performance and allowing for long…

Ultra-wide bandgap (UWBG) materials such as AlN and BN hold great promise for future power electronics due to their exceptional properties. They exhibit large bandgaps, high breakdown fields, high thermal conductivity, and high mechanical…

Materials Science · Physics 2024-09-09 Cody L. Milne , Tathagata Biswas , Arunima K. Singh

Group theory and density functional theory methods are combined to obtain compact and accurate $k\cdot p$ Hamiltonians that describe the bandstructures around the $K$ and $\Gamma$ points for the 2D material hexagonal boron arsenide (h-BAs)…

Mesoscale and Nanoscale Physics · Physics 2019-05-28 Mathias Rosdahl Brems , Morten Willatzen

Utilizing three-terminal tunnel emission of ballistic electrons and holes, we have developed a method to self-consistently measure the bandgap of semiconductors and band discontinuities at semiconductor heterojunctions without any…

Mesoscale and Nanoscale Physics · Physics 2009-09-15 Wei Yi , Hong Lu , Yong Huang , Michael A. Scarpulla , Jae-Hyun Ryou , Arthur C. Gossard , Russell D. Dupuis , Venkatesh Narayanamurti

Hexagonal boron nitride is a wide bandgap semiconductor with a very high thermal and chemical stability often used in devices operating under extreme conditions. The growth of high-purity crystals has recently revealed the potential of this…

Materials Science · Physics 2016-05-04 G. Cassabois , P. Valvin , B. Gil

By using ab inito calculations within Density Functional Theory, we have explored the possible structures and various properties of porous AlN monolayer materials. Two kinds of porous AlN monolayer are identified, and the phonon dispersion…

Materials Science · Physics 2020-04-22 Yanwei Luo , Jiahui Hu , Yu Jia

In this work, the energy band structures of BGaN and BAlN alloys are systematically studied through first-principles calculation using HSE hybrid density functional theory by MedeA-VASP. Direct-indirect bandgap transition of BGaN alloys at…

Applied Physics · Physics 2020-05-19 Che-Hao Liao , Feras AlQatari , Xiaohang Li

We have predicted a new phase of nitrogen with octagon structure in our previous study, which we referred to as octa-nitrogene (ON). In this work, we make further investigation on its electronic structure. The phonon band structure has no…

Materials Science · Physics 2018-01-29 Wanxing Lin , Jiesen Li , Weiliang Wang , Shi-Dong Liang , Dao-Xin Yao

Due to the wide range of possible applications, atomically thin two-dimensional heterostructures have attracted much attention. In this work, using first-principles calculations, we investigated the structural and electronic properties of…

Unlike cubic GeSn, which requires a high Sn concentration to undergo an indirect-to-direct bandgap transition, lonsdaleite (2H) germanium is an intrinsic direct-gap semiconductor. We employ first-principles density functional theory to…

Materials Science · Physics 2026-05-14 Yetkin Pulcu , János Koltai , Andor Kormányos , Guido Burkard

The emerging wide bandgap BAlN alloys have potentials for improved III-nitride power devices including high electron mobility transistor (HEMT). Yet few relevant studies have been carried. In this work, we have investigated the use of the…

Applied Physics · Physics 2020-05-05 Rongyu Lin , Xinwei Liu , Kaikai Liu , Yi Lu , Xinke Liu , Xiaohang Li

Motivated by recent studies that reported the successful synthesis of monolayer Mg(OH)$_{2}$ [Suslu \textit{et al.}, Sci. Rep. \textbf{6}, 20525 (2016)] and hexagonal (\textit{h}-)AlN [Tsipas \textit{et al}., Appl. Phys. Lett. \textbf{103},…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 C. Bacaksiz , A. Dominguez , A. Rubio , R. T. Senger , H. Sahin

A theoretical study of Al(1-x)Ga(x)N, based on full-potential linearized augmented plane wave method, is used to investigate the variations in the bandgap, optical properties and non-linear behavior of the compound with the variation of Ga…

Materials Science · Physics 2015-03-17 B. Amin , Iftikhar Ahmad , M. Maqbool , S. Goumri-Said , R. Ahmad

Atomically thin hexagonal boron nitride (h-BN), especially monolayer, has garnered increasing attention due to its intriguing optical and light-matter-interaction properties. However, its intrinsic optical properties and electronic band…

Ultrawide bandgap heterojunction p-n diodes with polarization-induced AlGaN p-type layers are demonstrated using plasma-assisted molecular beam epitaxy on bulk AlN substrates. Current-voltage characteristics show a turn on voltage of…

Boron aluminum nitride (B$_x$Al$_{1-x}$N) is a promising material for next-generation electronic and optoelectronic devices due to its ultra-wide bandgap, high thermal stability, and compatibility with other III-nitride semiconductors.…

Materials Science · Physics 2025-12-02 Cody L Milne , Arunima K Singh

We report on ultra-wide bandgap (UWBG) Al0.75Ga0.25N channel metal-insulator-semiconductor field-effect transistors (MISFET) with heterostructure engineered low-resistance ohmic contacts. The low intrinsic electron affinity of AlN (0.6 eV)…

Mesoscale and Nanoscale Physics · Physics 2016-11-03 Sanyam Bajaj , Fatih Akyol , Sriram Krishnamoorthy , Yuewei Zhang , Siddharth Rajan
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