First principles study of local electronic and magnetic properties in pure and electron-doped Nd2CuO4

The local electronic structure of Nd2CuO4 is determined from ab initio cluster calculations in the framework of density functional theory. Spin-polarized calculations with different multiplicities enable a detailed study of the charge and spin density distributions, using clusters that comprise up t...

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Veröffentlicht in:	Journal of physics. Condensed matter 2006-08, Vol.18 (31), p.7481-7495
Hauptverfasser:	Bersier, C, Renold, S, Stoll, E P, Meier, P F
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron density of states and band structure of crystalline solids Electron states Exact sciences and technology Magnetic resonances and relaxations in condensed matter, mössbauer effect Nuclear magnetic resonance and relaxation Other inorganic compounds Physics
Online-Zugang:	Volltext
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