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Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compounds
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The in-plane nearest-neighbor Heisenberg magnetic coupling constant,
J
, of
La
2
CuO
4
,
Nd
2
CuO
4
,
Sr
2
CuO
2
Cl
2
,
YBa
2
Cu
3
O
6
, and undoped
HgBa
2
Ca
n
−
1
Cu
n
O
2
n
+
2
+
δ
(
n
=
1
,
2
,
3
) is calculated from accurate ab initio configuration interaction calculations. For the first four compounds, the theoretical
J
values are in quantitative agreement with experiment. For the Hg-based compounds the predicted values are
−
135
meV
(
n
=
1
) and
∼
−
160
meV
(
n
=
2
,
3
), the latter being much larger than in previous cases and, for
n
=
3
, increasing with pressure. Nevertheless, the physics governing
J
in all these layered cuprates appears to be the same. Moreover, calculations suggest a possible relationship between
J
and
T
c
.
Matèries (anglès)
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Citació
MUÑOZ RAMOS, David, ILLAS I RIERA, Francesc and MOREIRA, Ibério de Pinho Ribeiro. Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compounds. Physical Review Letters. 2000. Vol. 84, num. 7, pags. 1579-1582. ISSN 0031-9007. [consulted: 15 of August of 2026]. Available at: https://hdl.handle.net/2445/13258