Pressure dependence of electronic, vibrational and optical properties of wurtzite-boron nitride

Silvetti, Martino; Attaccalite, Claudio; Cannuccia, Elena

doi:10.1103/physrevmaterials.7.055201

Cited by 1 publication

(2 citation statements)

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“…Here, all of the modes except B 1 are Raman active and only A 1 and E 1 are IR active. Furthermore, A 1 and E 1 modes get split into componentsLO and transverse optical (TO) due to the appearance of a macroscopic electric field due to the LO phonon vibrations causing relative displacement of the oppositely charged atoms of the unit cell. , Figure a depicts the direction of the physical vibrations of atoms for different phonon modes. The A and B modes are basically the atomic displacements along the c -direction, and that of the E mode is perpendicular to the c -direction .…”

Section: Resultsmentioning

confidence: 99%

“…Furthermore, A 1 and E 1 modes get split into componentsLO and transverse optical (TO) due to the appearance of a macroscopic electric field due to the LO phonon vibrations causing relative displacement of the oppositely charged atoms of the unit cell. , Figure a depicts the direction of the physical vibrations of atoms for different phonon modes. The A and B modes are basically the atomic displacements along the c -direction, and that of the E mode is perpendicular to the c -direction . The A 1 mode is connected to the oscillation of rigid Zn and O atoms connected by the polar Zn–O bond, resulting in the polarizing effect, and is the same for TO and LO modes.…”

Section: Resultsmentioning

confidence: 99%

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Vibrational Property-Driven NIR Transparency in X:ZnO (X = Mo, Al) Multilayer Transparent Electrodes for Self-Powered Flexible Optoelectronics

Barman,

Borah,

Changmai

et al. 2024

ACS Appl. Electron. Mater.

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In the direction of harnessing the benefit of untapped IR solar radiation, this work highlights the essence of developing Vis-NIR transparent conducting electrodes (TCEs) based on X:ZnO (X = Mo, Al) with embedded Al. The origin of NIR transparency is explained through a comparative study in MZO-and AZO-based frameworks, synthesized by magnetron sputtering operated at relatively low sputtering power, aiming at the application in optoelectronic devices as top-illuminating electrodes. A different type of microstructural array is proposed for obtaining better transparency in multilayered transparent conducting oxides (TCOs) with embedded metal nanostructures. The cutoff wavelength of the transparent window obtained experimentally is mainly explained by vibrational properties in terms of phonon modes derived from theoretical calculations involving first-principles density functional theory (DFT) as well as Raman studies. Also, the mechanical stability is tested and discussed based on strain delocalization. Finally, a device application of the developed TCOs is demonstrated with an emerging S-scheme heterojunction having the potential for self-powered optoelectronics, along with the mechanical flexibilities of the device and the TCE.

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Section: Resultsmentioning

confidence: 99%