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Literature DB >> 29333524

Resonant X-ray Emission of Hexagonal Boron Nitride.

John Vinson¹, Terrence Jach¹, Matthias Müller², Rainer Unterumsberger², Burkhard Beckhoff².

Abstract

The electronic structure of hexagonal boron nitride (h-BN) is explored using measurements of x-ray absorption and resonant inelastic x-ray scattering (RIXS) at the nitrogen K edge (1s) in tandem with calculations using many-body perturbation theory within the GW and Bethe-Salpeter equation (BSE) approximations. Our calculations include the effects of lattice disorder from phonons activated thermally and from zero point energy. They highlight the influence of disorder on near-edge x-ray spectra.

Entities: CellLine Chemical Disease Species

Year: 2017 PMID： 29333524 PMCID： PMC5766010 DOI： 10.1103/PhysRevB.96.205116

Source DB: PubMed Journal: Phys Rev B Impact factor: 4.036

22 in total

1. A plane-grating monochromator beamline for the PTB undulators at BESSY II.

Authors: F Senf; U Flechsig; F Eggenstein; W Gudat; R Klein; H Rabus; G Ulm
Journal: J Synchrotron Radiat Date: 1998-05-01 Impact factor: 2.616

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Journal: Phys Rev Lett Date: 1993-01-11 Impact factor: 9.161

3. Vibrational properties of hexagonal boron nitride: inelastic X-ray scattering and ab initio calculations.

Authors: J Serrano; A Bosak; R Arenal; M Krisch; K Watanabe; T Taniguchi; H Kanda; A Rubio; L Wirtz
Journal: Phys Rev Lett Date: 2007-03-01 Impact factor: 9.161

4. Stacking in bulk and bilayer hexagonal boron nitride.

Authors: Gabriel Constantinescu; Agnieszka Kuc; Thomas Heine
Journal: Phys Rev Lett Date: 2013-07-17 Impact factor: 9.161

5. Ab initio calculation of phonon dispersions in semiconductors.

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Journal: Phys Rev B Condens Matter Date: 1991-03-15

6. Ab initio calculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials.

Authors:
Journal: Phys Rev B Condens Matter Date: 1994-12-01

7. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.

Authors: Paolo Giannozzi; Stefano Baroni; Nicola Bonini; Matteo Calandra; Roberto Car; Carlo Cavazzoni; Davide Ceresoli; Guido L Chiarotti; Matteo Cococcioni; Ismaila Dabo; Andrea Dal Corso; Stefano de Gironcoli; Stefano Fabris; Guido Fratesi; Ralph Gebauer; Uwe Gerstmann; Christos Gougoussis; Anton Kokalj; Michele Lazzeri; Layla Martin-Samos; Nicola Marzari; Francesco Mauri; Riccardo Mazzarello; Stefano Paolini; Alfredo Pasquarello; Lorenzo Paulatto; Carlo Sbraccia; Sandro Scandolo; Gabriele Sclauzero; Ari P Seitsonen; Alexander Smogunov; Paolo Umari; Renata M Wentzcovitch
Journal: J Phys Condens Matter Date: 2009-09-01 Impact factor: 2.333

Resonant X-ray Emission of Hexagonal Boron Nitride.

1. A plane-grating monochromator beamline for the PTB undulators at BESSY II.

2. Soft-x-ray emission insulators: Spectator versus normal emission.

3. Vibrational properties of hexagonal boron nitride: inelastic X-ray scattering and ab initio calculations.

4. Stacking in bulk and bilayer hexagonal boron nitride.

5. Ab initio calculation of phonon dispersions in semiconductors.

6. Ab initio calculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials.

7. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.

8. Quasiparticle Lifetime Broadening in Resonant X-ray Scattering of NH₄NO₃.

9. Excitons in boron nitride nanotubes: dimensionality effects.

10. Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal.

1. Resonant X-ray Emission and Valence-band Lifetime Broadening in LiNO₃.

Review 2. Traceable Characterization of Nanomaterials by X-ray Spectrometry Using Calibrated Instrumentation.