Electronic structure of the superconducting layered ternary nitrides CaTaN2 and CaNbN2

Josep M. Oliva; Ruben Weht; Pablo Ordejón; Enric Canadell

doi:10.1103/PhysRevB.62.1512

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Electronic structure of the superconducting layered ternary nitrides CaTaN2 and CaNbN2

Josep M. Oliva, Ruben Weht, Pablo Ordejón, Enric Canadell

DOI 10.1103/PhysRevB.62.1512 · Physical Review B

T1

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Abstract

The electronic structure of the layered ternary nitrides CaMN2 (M= Ta, Nb) has been studied and the results are compared with those for the related LiMoN2 phase. It is shown that the former are two-dimensional metals, with a Fermi surface very similar to that of the 1T-TaX2 (X= S, Se) dichalcogenides, whereas the latter is a three-dimensional metal. The three phases show strong covalent bonding within the layers but ionic bonding with the alkali atom sheets.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
CaTaN2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	8.2	Pressure not reported	unknown
CaNbN2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	14	Pressure not reported	unknown
ZrNCl Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	12	Pressure not reported	unknown
HfNCl Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	25	Pressure not reported	unknown