TY - JOUR
T1 - Interaction between the chain and ladder subsystems in (Ca,Sr,La) 14Cu24O41 compounds
AU - Schwingenschlögl, U.
AU - Schuster, C.
PY - 2008/9/24
Y1 - 2008/9/24
N2 - We investigate the influence of structural modulations on the electronic properties of incommensurate (Ca,Sr,La)14Cu24O 41 compounds by band structure calculations based on density functional theory and the local density approximation (LDA). Using a supercell approach with ten CuO2 chain and seven Cu2O3 ladder segments, we take into account the major effects of the structural incommensurability. We find that the LDA electronic states show very little response to these modulations. The coupling between the electronic and structural degrees of freedom, hence, can be well described in terms of two independent subsystems. The incommensurate charge density waves (CDWs) in the chains and the ladders are formed independently of each other.
AB - We investigate the influence of structural modulations on the electronic properties of incommensurate (Ca,Sr,La)14Cu24O 41 compounds by band structure calculations based on density functional theory and the local density approximation (LDA). Using a supercell approach with ten CuO2 chain and seven Cu2O3 ladder segments, we take into account the major effects of the structural incommensurability. We find that the LDA electronic states show very little response to these modulations. The coupling between the electronic and structural degrees of freedom, hence, can be well described in terms of two independent subsystems. The incommensurate charge density waves (CDWs) in the chains and the ladders are formed independently of each other.
UR - http://www.scopus.com/inward/record.url?scp=54749093156&partnerID=8YFLogxK
U2 - 10.1088/0953-8984/20/38/382201
DO - 10.1088/0953-8984/20/38/382201
M3 - Article
C2 - 21693806
AN - SCOPUS:54749093156
SN - 0953-8984
VL - 20
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
IS - 38
M1 - 382201
ER -