Calculated magnetic exchange interactions in high-temperature superconductors

Xiangang Wan; Thomas A. Maier; Sergej Y. Savrasov

doi:10.1103/PhysRevB.79.155114

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Calculated magnetic exchange interactions in high-temperature superconductors

Xiangang Wan, Thomas A. Maier, Sergej Y. Savrasov

DOI 10.1103/PhysRevB.79.155114 · Physical Review B

T1

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Abstract

Using a first-principles linear-response approach, we study the magnetic exchange interactions J for a series of superconducting cuprates. We reproduce the observed spin-wave dispersions together with other experimental trends, and show that different cuprates have similar J′s regardless of their Tc. The nearest-neighbor J is not sensitive to the hole doping, which agrees with recent experiments. For the undoped cuprates, the second-nearest-neighbor J is ferromagnetic, but changes its sign with hole doping. We also find that, in contrast to the hopping integral, the exchange interaction is not sensitive to the position of apical oxygen. To see the effect of the long-range nature of the exchange on the superconducting Tc, we study the dynamical spin susceptibility χ(q,ω) within the t−J model using a dynamical cluster approximation.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
CaCuO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	110	Pressure not reported	unknown
Tl2Ba2CuO6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	97	Pressure not reported	unknown
HgBa2CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	94	Pressure not reported	unknown
La2CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	42	Pressure not reported	unknown
Sr2CuO2Cl2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	28	Pressure not reported	unknown
HgBa2CaCu2O6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	128	Pressure not reported	unknown
Tl2Ba2Cu2O8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	125	Pressure not reported	unknown
YBa2Cu3O6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	90	Pressure not reported	unknown
HgBa2Ca2Cu3O8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	135	Pressure not reported	unknown