Role of the Madelung energy in hole conductivity in copper oxides: Difference between semiconductors and high-Tc superconductors

J. B. Torrance; R. M. Metzger

doi:10.1103/PhysRevLett.63.1515

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Role of the Madelung energy in hole conductivity in copper oxides: Difference between semiconductors and high-Tc superconductors

J. B. Torrance, R. M. Metzger

DOI 10.1103/PhysRevLett.63.1515 · Physical Review Letters

T1

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Abstract

The difference in Madelung site potential, ΔVM, between a hole on a copper site and one on an oxygen site can control the hole’s site preference and ability to delocalize. Among a variety of copper oxide structures, eΔVM is shown to vary by ∼3 eV and to clearly separate two classes of compounds: Those with eΔVM>47 eV are metallic with high Tc and delocalized holes, whereas those with lower ΔVM are semiconducting because their holes are self-trapped on oxygen.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
Tl2Ba2CuO6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	95	Pressure not reported	unknown
Tl2Ba2CaCu2O8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	108	Pressure not reported	unknown
Tl2Ba2Ca2Cu3O10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	125	Pressure not reported	unknown
Y(LaBa)Cu3O6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	50	Pressure not reported	unknown
Y(LaBa)Cu2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	90	Pressure not reported	unknown
Dy(LaBa)Cu4O6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	65	Pressure not reported	unknown
Nd1.4Ce0.2Sr0.4CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	30	Pressure not reported	unknown
Bi2Sr2CaCu2O8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	85	Pressure not reported	unknown
Bi2Sr2CuO6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	15	Pressure not reported	unknown
La2CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	35	Pressure not reported	unknown