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Updated: Jan 31, 2026

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Published on: November 28, 2017
Data from the electronic band structures of several Zintl phases with group 15 elements and the transition metals
Alexander Ovchinnikov1, Svilen Bobev1
1Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA.
Abstract:
Electronic band structures of the following compounds - Cs4Cd(As7)2, K2PdP2, K5CuAs2, Na2CuP and K3Cu3P2 - all computed by means of the TB-LMTO-ASA code. The calculations show that for all compounds, the bonding states are occupied, while the antibonding orbitals are vacant. This confirms the partitioning of the valence electrons according to the Zintl-Klemm formalism. The data is related todoi.org/10.1016/j.jssc.2018.11.029 (Ovchinnikov and Bobev, 2019) [1].
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