6 papers · 1 filter
Ab initio calculations of the electronic structure of cuprates using large scale cluster techniques
S. Renold, C. Bersier, E. P. Stoll +1
The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-…
First principles study of local electronic and magnetic properties in pure and electron-doped NdCuO
C. Bersier, S. Renold, E. P. Stoll +1
The local electronic structure of Nd2CuO4 is determined from ab-initio cluster calculations in the framework of density functional theory. Spin-polarized calculations with differen…
Spin dynamics in HTSC cuprates: The singlet--correlated band (or t-J-V) model and its applications
T. Mayer, M. Eremin, I. Eremin +1
So far calculations of the spin susceptibility in the superconducting state of cuprates have been performed in the framework of weak-coupling approximations. However, it is known t…
Anisotropy of the antiferromagnetic spin correlations in the superconducting state of YBa_2Cu_3O_7 and YBa_2Cu_4O_8
A. Uldry, M. Mali, J. Roos +1
We present evidence that the antiferromagnetic spin correlations in optimally doped YBa_2Cu_3O_7 and underdoped YBa_2Cu_4O_8 develop a surprisingly strong anisotropy in the superco…
Charge and spin density distributions around Zn impurities in cuprates
C. Bersier, S. Renold, E. P. Stoll +1
The effect of zinc substitution on the local electronic structure of several cuprates is investigated using first-principles cluster calculations. Clusters comprising 5, 9, and 13…
Analysis of NMR Spin-Lattice Relaxation Rates in Cuprates
A. Uldry, P. F. Meier
We investigate nuclear spin-lattice relaxation data in the normal state of optimally doped YBaCuO_7 by analyzing the contributions to the relaxation rate of the copper, planar oxyg…