Application of (e,2e) spectroscopy to the electronic structure of valence electrons in crystalline and amorphous solids

Dennison, John; Ritter, Andreas

doi:10.1016/0368-2048(95)02496-4

Cited by 28 publications

(11 citation statements)

References 99 publications

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“…A number of detailed accounts of EMS can be found in the literature, here we give an overview of the salient points of the experiment [1,3]. EMS is an electron impact technique, which utilises ionisation of the target to probe electronic structure.…”

Section: Experimental Methodsmentioning

confidence: 99%

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The electronic structure of Be and BeO: benchmark EMS measurements and LCAO calculations

Bas

Dorsett

Ford

2003

Journal of Physics and Chemistry of Solids

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The electronic band structures of Be and BeO have been measured by transmission electron momentum spectroscopy (EMS). The low atomic number of beryllium and the use of ultrathin solid films in these experiments reduce the probability of electron multiple scattering within the sample, resulting in very clean "benchmark" measurements for the EMS technique. Experimental data are compared to tight-binding (LCAO) electronic structure calculations using Hartree-Fock (HF), and local density (LDA-VWN), gradient corrected (PBE) and hybrid (PBE0) density functional theory. Overall, DFT calculations reproduce the EMS data for metallic Be reasonably well. PBE predictions for the valence bandwidth of Be are in excellent agreement with EMS data, provided the calculations employ a large basis set augmented with diffuse functions. For BeO, PBE calculations using a moderately-sized basis set are in reasonable agreement with experiment, slightly underestimating the valence bandgap and overestimating the O(2s) and O(2p) bandwidths. The calculations also underestimate the EMS intensity of the O(2p) band around the Γ-point. Simulation of the effects of multiple scattering in the calculated oxide bandstructures do not explain these systematic differences.

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Section: Experimental Methodsmentioning

confidence: 99%

“…Transmission EMS on solid samples is generally difficult, since measurements are subject to multiple scattering of the electrons within the sample [3,4]. However, the signal-to-noise ratio is vastly improved when the solid samples are thin (~100 Å), or when they are composed of light elements.…”

Section: Introductionmentioning

confidence: 99%

The electronic structure of Be and BeO: benchmark EMS measurements and LCAO calculations

Bas

Dorsett

Ford

2003

Journal of Physics and Chemistry of Solids

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“…EMS can provide a direct measurement of electron distribution in energy-momentum space, and has been applied to a variety of targets in gaseous [28,29] and solid [30,31,32,33] forms. EMS allows us to directly observe the dispersion relationship in solids, and also measure band intensities, i.e.…”

Section: Introductionmentioning

confidence: 99%

Electronic band structure of calcium oxide

Bolorizadeh

Sashin

Kheifets³

et al. 2004

Journal of Electron Spectroscopy and Related Phenomena

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Abstract. We employed electron momentum spectroscopy (EMS) to measure the bulk electronic structure of calcium oxide. We extracted the electron momentum density (EMD), density of occupied states (DOS), band dispersions, bandwidths and intervalence bandgaps from the data. The results are compared with calculations based on the full potential linear muffin-tin orbital (FP-LMTO) approximation. While the bandwidths of 0.6 ± 0.2 eV and 1.2 ± 0.1 eV for the s-and p-bands, respectively, and their dispersions agree well with the LMTO calculation, the relative intensity of the two bands is at odds with the theory. The measured intervalence bandgap at the Γ-point of 16.5 ± 0.2 eV is larger by 2.1 eV than that from the LMTO calculation. The experimental bandwidth of the Ca 3p semi-core level of 0.7 ± 0.1 eV agrees with the LMTO prediction. The measured bandgap between this level and the s-band is 3.6 ± 0.2 eV. The Ca 3s-3p level splitting is in excellent agreement with the literature.

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“…The band gap at K is larger than at M and can be distinguished as a ''kink'' in the measured intensity. Continuing along the same direction in the third BZ the band 3 reaches a maximum at the point M at a momentum value of Ӎ1.3 a.u. This maximum is observed at a smaller binding energy than the maximum in case ͑a͒.…”

Section: ͑3͒mentioning

confidence: 90%

“…1 This spectroscopy has been successfully applied to atoms and molecules, 1 and to a more limited extent to solids. 2,3 Other techniques measure quantities derived from the energy-momentum density. In particular, (␥,e␥) spectroscopy measures the ͑energy-integrated͒ momentum density.…”

Section: ͑3͒mentioning

confidence: 99%

Energy-momentum density of graphite by(e,2e)spectroscopy

et al. 1997

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The energy-resolved electron momentum density of graphite has been measured along a series of welldefined directions using (e,2e) spectroscopy. This is the first measurement of this kind, to our knowledge, performed on a single-crystal target with a thoroughly controlled orientation which clearly demonstrates the different nature of the and bands in graphite. Good agreement between the calculated density and the measured one is found, further establishing the fact that (e,2e) spectroscopy yields more direct and complete information on the valence electronic structure than any other method.

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Application of (e,2e) spectroscopy to the electronic structure of valence electrons in crystalline and amorphous solids

Cited by 28 publications

References 99 publications

The electronic structure of Be and BeO: benchmark EMS measurements and LCAO calculations

The electronic structure of Be and BeO: benchmark EMS measurements and LCAO calculations

Electronic band structure of calcium oxide

Energy-momentum density of graphite by(e,2e)spectroscopy

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