# name
Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compounds

# metadata.dc.description.abstract[].value
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
.

# metadata.dc.source[].value
Articles publicats en revistes (Ciència dels Materials i Química Física)

# metadata.dc.title[].value
Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compounds