Document Type

Article

Original Publication Date

2008

Journal/Book/Conference Title

Physical Review B

Volume

78

Issue

3

DOI of Original Publication

10.1103/PhysRevB.78.035117

Comments

Originally published by the American Physical Society at: http://dx.doi.org/10.1103/PhysRevB.78.035117

Date of Submission

April 2015

Abstract

The anisotropy of the electronic structure of ternary nanolaminate V2GeC is investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured polarization-dependent emission spectra of V L2,3, C K, Ge M1, and Ge M2,3 in V2GeC are compared with those from monocarbide VC and pure Ge. The experimental emission spectra are interpreted with calculated spectra using ab initio density-functional theory including dipole transition matrix elements. Different types of covalent chemical bond regions are revealed: V 3d-C 2p bonding at −3.8 eV, Ge 4p-C 2p bonding at −6 eV, and Ge 4p-C 2sinteraction mediated via the V 3d orbitals at −11 eV below the Fermi level. We find that the anisotropic effects are high for the 4p valence states and the shallow 3d core levels of Ge, while relatively small anisotropy is detected for the V 3d states. The macroscopic properties of the V2GeC nanolaminate result from the chemical bonds with the anisotropic pattern as shown in this work.

Rights

Magnuson, M., Wilhelmsson, O., Mattesini, M., et al. Anisotropy in the electronic structure of V2GeC investigated by soft x-ray emission spectroscopy and first-principles theory. Physical Review B, 78, 035117 (2008). Copyright © 2008 American Physical Society.

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