Abstract
The electronic structure of TlCo2Se2 has been investigated by means of band structure calculations and x-ray photoelectron andemission spectroscopy (XPS and XES). The formation of the valence band is described inconnection with calculations of partial densities of states of the valence band and CoLα,β x-ray emission () aligned to the binding energy scale. The experimental results are in agreement with thecalculated distribution of Co 3d states, which lie close to the Fermi level. Theeffect of Co–Se bonding is seen as satellite structures in the XPS Co 2p signals.Thermoelectric and Hall effect data as well as resistivity measurements show thatTlCo2Se2 is metallic with electron holes as charge carriers with broadbandmobility characteristics. The observed anisotropy of the resistivity in theab planeand along c remains constant as a function of temperature, i.e. without signs of the magnetic ordering that occurs(TN∼85 K). The results of local spin density functional calculations show ferromagnetic couplingwithin the cobalt plane as a result of direct magnetic interactions between the magneticmoments.
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