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Orbital characters and electronic correlations in KCo2Se2.

Z H Liu¹, Y G Zhao, Y Li

¹Department of Physics, Renmin University, Beijing 100872, People's Republic of China. Institute for Solid State Research, IFW Dresden, Dresden 01171, Germany. State Key Laboratory of Functional Materials for Informatic, SIMIT, Chinese Academy of Sciences, Shanghai 200050, People's Republic of China.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|July 9, 2015

Summary

We studied the electronic structure of KCo2Se2 using angle-resolved photoemission spectroscopy. The findings reveal its near-two-dimensional electronic nature and dominant Co 3d orbital contributions, with weaker electronic correlations than similar compounds.

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Area of Science:

Condensed Matter Physics
Materials Science
Solid-State Chemistry

Background:

Understanding the electronic structure of novel materials is crucial for developing advanced electronic devices.
Potassium cobalt diselenide (KCo2Se2) is a material with potential applications in electronics.

Purpose of the Study:

To comprehensively investigate the three-dimensional electronic structure and orbital characteristics of KCo2Se2.
To determine the nature of the Fermi surfaces and the contributing atomic orbitals.

Main Methods:

Utilizing polarization- and photon energy-dependent angle-resolved photoemission spectroscopy (ARPES).
Performing local-density approximation (LDA) calculations to interpret experimental results.

Main Results:

Observed one electron-like Fermi surface (FS) at the Brillouin zone (BZ) center, four electron-like FSs at the BZ corner, and one hole-like FS at the BZ boundary.
Demonstrated weak kz dispersion of FSs, indicating a near-two-dimensional electronic nature.
Identified Co 3d orbitals, mixed with Se 4p states, as the primary contributors to the low-energy electronic bands, with the [Formula: see text] orbital significantly impacting the Fermi level crossing.

Conclusions:

The electronic structure of KCo2Se2 is predominantly two-dimensional.
Electronic correlations in KCo2Se2 are significantly weaker compared to KyFe2-xSe2, as indicated by a band renormalization factor of approximately 1.6.