Electronic structure and final-state effects in Nd2CuO4, La2CuO4, and Ca2CuO3 compounds by multichannel multiple-scattering theory at the copper K edge

被引：23

作者：

Wu, ZY ^{[1
]}

Benfatto, M ^{[1
]}

Natoli, CR ^{[1
]}

机构：

[1] IST NAZL FIS NUCL,LAB NAZL FRASCATI,I-00044 FRASCATI,ITALY

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.54.13409

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a theoretical analysis, based on the zeroth-order approximation of the multichannel multiple-scattering theory, of the x-ray-absorption spectra of Nd2CuO4, La2CuO4, and Ca2CuO3 compounds at the copper K edge. Single-channel theoretical calculations have been made using atomic clusters large enough to be sure that all one-electron features have been correctly described. On this basis the presence of both 3d(9) and <3d(10)(L)under bar> configurations in the ground state has been found essential to obtain good agreement between experimental data and theoretical calculations in the case of Nd2CuO4 and Ca2CuO3. Conversely, the best agreemnt with the La2CuO4 data has been obtained by taking into account only the <3d(10)(L)under bar> configuration in the final state. We briefly comment on this finding.

引用

页码：13409 / 13412

页数：4

共 38 条

[1] DETERMINATION OF VALENCE OF CU IN SUPERCONDUCTING LA2-X(SR,BA)XCUO4 [J].

ALP, EE ;

SHENOY, GK ;

HINKS, DG ;

CAPONE, DW ;

SODERHOLM, L ;

SCHUTTLER, HB ;

GUO, J ;

ELLIS, DE ;

MONTANO, PA ;

RAMANATHAN, M .

PHYSICAL REVIEW B, 1987, 35 (13) :7199-7202

[2] X-RAY ABSORPTION-SPECTROSCOPY OF THE 90 K SUPERCONDUCTOR YBA2CU3O7-DELTA - POSSIBLE CU IONS MIXED VALENCY AND ITS CHANGE WITH OXYGEN-CONTENT AND HIGH-PRESSURE [J].

BAUDELET, F ;

COLLIN, G ;

DARTYGE, E ;

FONTAINE, A ;

KAPPLER, JP ;

KRILL, G ;

ITIE, JP ;

JEGOUDEZ, J ;

MAURER, M ;

MONOD, P ;

REVCOLEVSCHI, A ;

TOLENTINO, H ;

TOURILLON, G ;

VERDAGUER, M .

ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1987, 69 (2-3) :141-149

[3] LACK OF DELOCALIZED CU P-STATES AT THE FERMI LEVEL IN THE HIGH-TC SUPERCONDUCTOR YBA2CU3O-APPROXIMATELY 7 BY XANES SPECTROSCOPY [J].

BIANCONI, A ;

CASTELLANO, AC ;

DESANTIS, M ;

POLITIS, C ;

MARCELLI, A ;

MOBILIO, S ;

SAVOIA, A .

ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1987, 67 (03) :307-312

[4] X-RAY-ABSORPTION STUDIES OF YBA2CU3O7-DELTA AND GDBA2CU3O7-DELTA SUPERCONDUCTORS [J].

BOYCE, JB ;

BRIDGES, F ;

CLAESON, T ;

HOWLAND, RS ;

GEBALLE, TH .

PHYSICAL REVIEW B, 1987, 36 (10) :5251-5257

[5] CRYSTAL-STRUCTURE OF THE HIGH-TEMPERATURE SUPERCONDUCTOR LA1.85SR0.15CUO4 ABOVE AND BELOW TC [J].

CAVA, RJ ;

SANTORO, A ;

JOHNSON, DW ;

RHODES, WW .

PHYSICAL REVIEW B, 1987, 35 (13) :6716-6720

[6] ABINITIO CALCULATION OF EXTENDED X-RAY-ABSORPTION FINE-STRUCTURE IN BR-2 [J].

CHOU, SH ;

REHR, JJ ;

STERN, EA ;

DAVIDSON, ER .

PHYSICAL REVIEW B, 1987, 35 (06) :2604-2614

[7] ELECTRONIC-STRUCTURE AND X-RAY-ABSORPTION SPECTRA OF WUSTITE FE1-XO [J].

CHOU, SH ;

GUO, J ;

ELLIS, DE .

PHYSICAL REVIEW B, 1986, 34 (01) :12-24

[8] TEMPERATURE-DEPENDENCE OF THE CRYSTAL-STRUCTURE OF THE CERAMIC SUPERCONDUCTOR LA1.85SR0.15CUO4 - A POWDER NEUTRON-DIFFRACTION STUDY [J].

DAY, P ;

ROSSEINSKY, M ;

PRASSIDES, K ;

DAVID, WIF ;

MOZE, O ;

SOPER, A .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1987, 20 (20) :L429-L434

[9] CALCULATION OF X-RAY ABSORPTION NEAR-EDGE STRUCTURE, XANES [J].

DURHAM, PJ ;

PENDRY, JB ;

HODGES, CH .

COMPUTER PHYSICS COMMUNICATIONS, 1982, 25 (02) :193-205

[10]

DURHAM PJ, 1988, CHEM ANAL, V92, P72

← 1 2 3 4 →