Band-theoretical study of magnetism in Sc2CuO

作者: T. C. Leung , X. W. Wang , B. N. Harmon

DOI: 10.1103/PHYSREVB.37.384

关键词: PhysicsElectronic structureFerromagnetismMagnetismCondensed matter physicsAntiferromagnetismOrientation (vector space)Electronic band structure

摘要: Self-consistent, spin-polarized calculations were performed for ${\mathrm{Sc}}_{2}$${\mathrm{CuO}}_{4}$. Both ferromagnetic and antiferromagnetic ground states investigated found to be unstable. Magnetic form factors calculated are discussed in view of experiments on ${\mathrm{La}}_{2}$${\mathrm{CuO}}_{4}$ the applicability band theory.

参考文章(19)
D. C. Johnston, J. P. Stokes, D. P. Goshorn, J. T. Lewandowski, Influence of oxygen defects on the physical properties of La2CuO Physical Review B. ,vol. 36, pp. 4007- 4010 ,(1987) , 10.1103/PHYSREVB.36.4007
D. Vaknin, S. K. Sinha, D. E. Moncton, D. C. Johnston, J. M. Newsam, C. R. Safinya, H. E. King, Antiferromagnetism inLa2CuO4−y Physical Review Letters. ,vol. 58, pp. 2802- 2805 ,(1987) , 10.1103/PHYSREVLETT.58.2802
S. Mitsuda, G. Shirane, S. K. Sinha, D. C. Johnston, M. S. Alvarez, D. Vaknin, D. E. Moncton, Confirmation of antiferromagnetism in La2CuO Physical Review B. ,vol. 36, pp. 822- 825 ,(1987) , 10.1103/PHYSREVB.36.822
Y. J. Uemura, W. J. Kossler, X. H. Yu, J. R. Kempton, H. E. Schone, D. Opie, C. E. Stronach, D. C. Johnston, M. S. Alvarez, D. P. Goshorn, Antiferromagnetism of La 2 CuO 4 − y studied by muon-spin rotation Physical Review Letters. ,vol. 59, pp. 1045- 1048 ,(1987) , 10.1103/PHYSREVLETT.59.1045
M. Cyrot, On high T c superconductivity in La 2 CuO 4 type compounds Solid State Communications. ,vol. 62, pp. 821- 823 ,(1987) , 10.1016/0038-1098(87)90827-1
Werner Weber, Electron-phonon interaction in the new superconductors La2-x(Ba,Sr)xCuO4. Physical Review Letters. ,vol. 58, pp. 1371- 1374 ,(1987) , 10.1103/PHYSREVLETT.58.1371
Peter J. Feibelman, J. A. Appelbaum, D. R. Hamann, Electronic structure of a Ti(0001) film Physical Review B. ,vol. 20, pp. 1433- 1443 ,(1979) , 10.1103/PHYSREVB.20.1433
B. N. Harmon, W. Weber, D. R. Hamann, Total-energy calculations for Si with a first-principles linear-combination-of-atomic-orbitals method Physical Review B. ,vol. 25, pp. 1109- 1115 ,(1982) , 10.1103/PHYSREVB.25.1109
W. Y. Ching, B. N. Harmon, Electronic structure of AlN Physical Review B. ,vol. 34, pp. 5305- 5308 ,(1986) , 10.1103/PHYSREVB.34.5305
J. Callaway, C. S. Wang, Self-Consistent Calculation of Energy Bands in Ferromagnetic Nickel Physical Review B. ,vol. 7, pp. 1096- 1103 ,(1973) , 10.1103/PHYSREVB.7.1096