<i>Ab initio</i> modeling of zincblende AlN layer in Al-AlN-TiN multilayers

Yadav, Satyesh Kumar; Wang, Jian; Liu, X.-Y.

doi:10.1063/1.4953593

Cited by 16 publications

(9 citation statements)

References 40 publications

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“…As a target composition of InAsxP1−x alloys, we focus on x=0.75 analogously to the previous experimental study of InAsP nanowires [16]. Orthorhombic supercells in a WZ and ZB phase are constructed with the primitive cell of each crystal phase by defining the lattice by (a,b,c)=(3a0,a0,c0) and (6a0,2a0,3a0) where a0,c0 are the cubic lattice constants for WZ and ZB, respectively [31]. The WB and ZB supercells consist of 16 and 48 atoms for WZ and ZB, respectively.…”

Section: Resultsmentioning

confidence: 99%

Piezoresistivity of InAsP Nanowires: Role of Crystal Phases and Phosphorus Atoms in Strain-Induced Channel Conductances

Kim

Ryu

2019

Molecules

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Strong piezoresistivity of InAsP nanowires is rationalized with atomistic simulations coupled to Density Functional Theory. With a focal interest in the case of the As(75%)-P(25%) alloy, the role of crystal phases and phosphorus atoms in strain-driven carrier conductance is discussed with a direct comparison to nanowires of a single crystal phase and a binary (InAs) alloy. Our analysis of electronic structures presents solid evidences that the strong electron conductance and its sensitivity to external tensile stress are due to the phosphorous atoms in a Wurtzite phase, and the effect of a Zincblende phase is not remarkable. With several solid connections to recent experimental studies, this work can serve as a sound framework for understanding of the unique piezoresistive characteristics of InAsP nanowires.

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Section: Resultsmentioning

confidence: 99%

Piezoresistivity of InAsP Nanowires: Role of Crystal Phases and Phosphorus Atoms in Strain-Induced Channel Conductances

Kim

Ryu

2019

Molecules

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“…Three binary group-III-nitride crystalline structures (i.e. InN, AlN, and GaN) exist physically: wurtzite, zinc blende, and rock salt, as shown in figure 1 [9]. Wurtzite structures exhibit better thermodynamic stability at ambient temperature and pressure than the latter two lattice structures [1].…”

Section: Materials Propertiesmentioning

confidence: 99%

Group-III-nitride and halide-perovskite semiconductor gain media for amplified spontaneous emission and lasing applications

Ng¹,

Holguín‐Lerma²,

Kang³

et al. 2021

J. Phys. D: Appl. Phys.

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Group-III-nitride optical devices are conventionally important for displays and solid-state lighting, and recently have garnered much interest in the field of visible-light communication. While visible-light laser technology has become mature, developing a range of compact, small footprint, high optical power components for the green-yellow gap wavelengths still requires material development and device design breakthroughs, as well as hybrid integration of materials to overcome the limitations of conventional approaches. The present review focuses on the development of laser and amplified spontaneous emission (ASE) devices in the visible wavelength regime using primarily group-III-nitride and halide-perovskite semiconductors, which are at disparate stages of maturity. While the former is well established in the violet-blue-green operating wavelength regime, the latter, which is capable of solution-based processing and wavelength-tunability in the green-yellow-red regime, promises easy heterogeneous integration to form a new class of hybrid semiconductor light emitters. Prospects for the use of perovskite in ASE and lasing applications are discussed in the context of facile fabrication techniques and promising wavelength-tunable light-emitting device applications, as well as the potential integration with group-III-nitride contact and distributed Bragg reflector layers, which is promising as a future research direction. The absence of lattice-matching limitations, and the presence of direct bandgaps and excellent carrier transport in halide-perovskite semiconductors, are both encouraging and thought-provoking for device researchers who seek to explore new possibilities either experimentally or theoretically. These

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“…found that the band bending at the ZB/WZ interface can lead to bound electron states within the enclosed WZ segment having sufficient length, as evidenced from the observed Coulomb blockade at low temperature by constructing homogeneous layered ZB/WZ/ZB SLs with precise control of WZ segment lengths. More interestingly, by controlling the mechanical property of a transformed WZ from ZB SLin AlN, the interfacial strain of the synthesized WZ or ZB phase structure can be tuned accordingly to suit the needs …”

Section: Introductionmentioning

confidence: 99%

Structural Engineering of Zinc‐Blend/Wurtzite BN Superlattices

et al. 2018

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By constructing Zinc-Blende (ZB)/Wurtzite (WZ) boron nitride (BN) (ZB 1-x /WZ x -BN) superlattices (SLs), their electronic structure and mechanical properties were investigated by first-principles techniques based on density functional theory. It is found that the band structure is significantly modulated by the ratio of WZ phase in ZB/WZ-BN SLs. With the increase of WZ ratio, the band gap of SLs decreases and then increases dramatically. More importantly, transformation from type-I to type-II band alignment between ZB and WZ can be tuned by adjusting the ratio of WZ to be > 0.6. In addition, a universal expression of the band gap is proposed to reveal a nonlinear dependence of the band gap within the structure of SLs as induced by from the interface effect achieved via structural transformation. The elastic constants results revealed that the change of ZB/WZ ratio poses no significant effect on the mechanical properties. The effect of structure modulation on band structure and mechanical properties is significantly important for future engineering of novel semiconductor SLs.

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Ab initio modeling of zincblende AlN layer in Al-AlN-TiN multilayers

Cited by 16 publications

References 40 publications

Piezoresistivity of InAsP Nanowires: Role of Crystal Phases and Phosphorus Atoms in Strain-Induced Channel Conductances

Piezoresistivity of InAsP Nanowires: Role of Crystal Phases and Phosphorus Atoms in Strain-Induced Channel Conductances

Group-III-nitride and halide-perovskite semiconductor gain media for amplified spontaneous emission and lasing applications

Structural Engineering of Zinc‐Blend/Wurtzite BN Superlattices

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