The electronic structure of Pb2MoO5: First-principles DFT calculations and X-ray spectroscopy measurements

The electronic structure of lanarkite-type Pb2MoO5 was explored by experimental and theoretical methods. The XPS and XES measurements were carried out at the cleaved atomic-smooth (201̅) surface prepared from the Pb2MoO5 crystal grown by the LTG Cz technique. The ab initio calculations of total and...

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Veröffentlicht in:	Materials & design 2016-09, Vol.105, p.315-322
Hauptverfasser:	Khyzhun, O.Y., Bekenev, V.L., Atuchin, V.V., Pokrovsky, L.D., Shlegel, V.N., Ivannikova, N.V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Crystals Electronic structure Mathematical analysis Plane waves Spectra Valence band X-ray emission spectroscopy X-ray photoelectron spectroscopy X-rays
Online-Zugang:	Volltext
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