Infrared reflectance spectrum of BN calculated from first principles

Cai, Yongqing; Zhang, Litong; Zeng, Qingfeng; Cheng, Laifei; Xu, Yating

doi:10.1016/j.ssc.2006.10.040

Cited by 126 publications

(94 citation statements)

References 27 publications

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“…3(b)). 15,16 The out-of-plane mode response at ν TO ⊥ = 780 cm 1 is not observed due to the use of a BaF 2 beam splitter with an IR bandwidth cut-off at ∼900 cm 1 . In contrast, the near-field spectrum using a KBr beam splitter of hBN on a Au substrate shows a peaked signal at the out-of-plane phonon mode resonance frequency ν TO ⊥ = 780 cm 1 , while the in-plane mode is not observed.…”

Section: Discussionmentioning

confidence: 99%

Laser heating of scanning probe tips for thermal near-field spectroscopy and imaging

O'callahan¹,

Raschke²

2016

APL Photonics

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Spectroscopy and microscopy of the thermal near-field yield valuable insight into the mechanisms of resonant near-field heat transfer and Casimir and Casimir-Polder forces, as well as providing nanoscale spatial resolution for infrared vibrational spectroscopy. A heated scanning probe tip brought close to a sample surface can excite and probe the thermal near-field. Typically, tip temperature control is provided by resistive heating of the tip cantilever. However, this requires specialized tips with limited temperature range and temporal response. By focusing laser radiation onto AFM cantilevers, we achieve heating up to ∼1800 K, with millisecond thermal response time. We demonstrate application to thermal infrared near-field spectroscopy (TINS) by acquiring near-field spectra of the vibrational resonances of silicon carbide, hexagonal boron nitride, and polytetrafluoroethylene. We discuss the thermal response as a function of the incident excitation laser power and model the dominant cooling contributions. Our results provide a basis for laser heating as a viable approach for TINS, nanoscale thermal transport measurements, and thermal desorption nano-spectroscopy.

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Section: Discussionmentioning

confidence: 99%

Laser heating of scanning probe tips for thermal near-field spectroscopy and imaging

O'callahan¹,

Raschke²

2016

APL Photonics

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“…For instance, 3C-SiC has a smaller unit cell mass and stronger bonding than does Si, which results in 50% higher optic phonon frequencies in 3C-SiC (see Figure 9). Therefore, to realize high-frequency SPhP response, lighter atomic masses and strong atomic bonding are required, with hBN offering the highest reported frequency response at 6.2-7.3 μm (1367-1610 cm -1 ) for the upper Reststrahlen band [52][53][54][55].…”

Section: Lattice Properties and Optic Phonons: Dispersion Lifetimes mentioning

confidence: 99%

“…SPhPs are the result of polar optical phonons interacting with long-wavelength incident fields from the mid-IR (e.g., hexagonal BN [52][53][54][55] and SiC [20,23,56,57]) to < 10 THz (e.g., GaAs [58,59], InP [60] and CaF 2 [61]), creating a surface excitation mediated by the atomic vibrations. Such SPhP modes can be stimulated in polar dielectric crystals between the longitudinal (LO) and transverse optic (TO) phonon frequencies, with this spectral range referred to as the "Reststrahlen" band [60,62,63].…”

Section: Introduction To Surface Phonon Polaritonsmentioning

confidence: 99%

Low-loss, infrared and terahertz nanophotonics using surface phonon polaritons

et al. 2015

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Abstract:The excitation of surface-phonon-polariton (SPhP) modes in polar dielectric crystals and the associated new developments in the field of SPhPs are reviewed. The emphasis of this work is on providing an understanding of the general phenomenon, including the origin of the Reststrahlen band, the role that optical phonons in polar dielectric lattices play in supporting sub-diffraction-limited modes and how the relatively long optical phonon lifetimes can lead to the low optical losses observed within these materials. Based on this overview, the achievements attained to date and the potential technological advantages of these materials are discussed for localized modes in nanostructures, propagating modes on surfaces and in waveguides and novel metamaterial designs, with the goal of realizing low-loss nanophotonics and metamaterials in the mid-infrared to terahertz spectral ranges.

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“…Due to its peculiar mechanical and physical properties, i.e., high bulk modulus, high thermal conductivity, and low dielectric constant, c-BN is a material of considerable technological interest. 66 In addition to experimental investigations of its electronic structure, 67 We begin with a brief review of the local Hamiltonian formalism and quasiparticle approximation. The starting point in our correlation treatment is a periodic HF calculation that provides the self-consistent-field ground-state wave function |Φ scf and energy of the N -electron system.…”

Section: Introductionmentioning

confidence: 99%

Correlation-induced corrections to the band structure of boron nitride: A wave-function-based approach

Stoyanova

Hozoi

Fulde

et al. 2009

The Journal of Chemical Physics

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We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based local Hamiltonian formalism which offers a rigorous approach to the calculation of the polarization and local charge redistribution effects around an extra electron or hole placed into the conduction or valence bands of semiconducting and insulating materials. Moreover, electron correlations beyond relaxation and polarization can be readily incorporated. The electron correlation treatment is performed on finite clusters. In conducting our study, we make use of localized Wannier functions and embedding potentials derived explicitly from prior periodic Hartree-Fock calculations. The on-site and nearest-neighbor charge relaxation bring corrections of several eV to the Hartree-Fock band gap. Additional corrections are caused by long-range polarization effects. In contrast, the dispersion of the Hartree-Fock bands is marginally affected by electron correlations. Our final result for the fundamental gap of zinc-blende BN compares well with that derived from soft x-ray experiments at the B and N K-edges.

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Infrared reflectance spectrum of BN calculated from first principles

Cited by 126 publications

References 27 publications

Laser heating of scanning probe tips for thermal near-field spectroscopy and imaging

Laser heating of scanning probe tips for thermal near-field spectroscopy and imaging

Low-loss, infrared and terahertz nanophotonics using surface phonon polaritons

Correlation-induced corrections to the band structure of boron nitride: A wave-function-based approach

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