相关论文: Hexagonal AlN: Dimensional-Crossover-Driven Bandga…

We perform the first-principles many-body GW and Bethe-Salpeter equation (BSE) calculations on the two-dimensional hexagonal boron nitride (2D-hBN) to explore the effects of opposite atoms on the electronic structure and linear one-photon…

Silicon crystallized in the usual cubic (diamond) lattice structure has dominated the electronics industry for more than half a century. However, cubic silicon (Si), germanium (Ge) and SiGe-alloys are all indirect bandgap semiconductors…

This study presents a comprehensive first-principles investigation of the optoelectronic and thermoelectric properties of aluminum antimonide (AlSb) in its cubic (F-43m) and hexagonal (P63mc) phases. Structural optimization was performed…

We use density functional theory to calculate the electronic band structures, cohesive energies, phonon dispersions, and optical absorption spectra of two-dimensional In$_2$X$_2$ crystals, where X is S, Se, or Te. We identify two…

Graphene holds great promise for post-silicon electronics, however, it faces two main challenges: opening up a bandgap and finding a suitable substrate material. In principle, graphene on hexagonal boron nitride (hBN) substrate provides…

In this letter, we report on unipolar vertical transport characteristics in c-plane GaN/AlGaN/GaN heterostructures. Vertical current in heterostructures with random alloy barriers was found to be independent of dislocation density and…

We report on the potential of high electron mobility transistors (HEMTs) consisting of high composition AlGaN channel and barrier layers for power switching applications. Detailed 2D simulations show that threshold voltages in excess of 3 V…

Ultra-wide band gap (UWBG) materials are poised to play an important role in the future of power electronics. Devices made from UWBG materials are expected to operate at higher voltages, frequencies, and temperatures than current silicon…

Thick metamorphic buffers are perceived to be indispensable for the heteroepitaxial integration of III-V semiconductors on silicon substrates with large thermal expansion and lattice mismatches. However, III-nitride buffers in conventional…

Inspired by the unique properties of graphene, the focus in the literature is now on investigations of various two-dimensional (2D) materials with the aim to explore their properties for future applications. The group IV analogues of…

In this paper, we present a collection of results focussing on the transport properties of doped direct-gap inverted-band highly polar III-nitride semiconductors (GaN, AlN, InN) and GaAs in the transient and steady state, calculated by…

This paper assesses intersubband transitions in the 1 to 10 THz frequency range in nonpolar m-plane GaN/AlGaN multi-quantum-wells deposited on free-standing semi-insulating GaN substrates. The quantum wells were designed to contain two…

The lattice mismatch between AlGaN and AlN substrates limits the design and efficiency of UV LEDs, but it can be mitigated by the co-incorporation of boron. We employ hybrid density functional theory to investigate the thermodynamic,…

Employing the density-functional theory with local density approximation, we show that the fully hydrogenated monolayer-hexagonal boron nitride (H$_2$BN) has a direct-band gap of 2.96 eV in the blue-light region while the pristine…

In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…

Lanthanum nitride (LaN) has attracted research interest in catalysis due to its ability to activate the triple bonds of N$_2$ molecules, enabling efficient and cost-effective synthesis of ammonia from N$_2$ gas. While exciting progress has…

Aluminum Indium Nitride (AlInN) alloys offer great potential for photovoltaic devices thanks to their wide direct bandgap energy that covers the solar spectrum from 0.7 eV (InN) to 6.2 eV (AlN), and their superior resistance to high…

This work studies the effect of four different types of buffer layers on the structural and optical properties of InGaN layers grown on Si(111) substrates and their correlation with electrical characteristics. The vertical electrical…

In the rapidly evolving area of integrated photonics, there is a growing need for materials that satisfy the particular requirements of increasingly complex and specialized devices and applications. Present photonic material platforms have…

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…