Spin bags, polarons, and impurity potentials in La{sub 2{minus}x}Sr{sub x}CuO{sub 4} from first principles
Journal Article
·
· Bulletin of the American Physical Society
OSTI ID:127784
- Inst. of Metal Physics, Ekaterinburgh (Russian Federation)
- Max-Planck Institut fuer Festkoerperforschung, Stuttgart (Germany); and others
A full-potential version of a recently proposed generalization of the local-density method (LDA+U) is used to study the influence of impurities, lattice, and magnetic relaxation in La{sub 2{minus}x}Sr{sub x}CuO{sub 4}. The carriers form mean-field analogs of Zhang-Rice singlets, which are only slightly affected by impurity and in-plane lattice relaxation effects. On the other hand, an {open_quotes}anti-Jahn-Teller{close_quotes} polaron, characterized by a 0.26 {Angstrom} shorter Cu to apicaloxygen bond length and triplet spin, is nearly stable. Although the impurity potentials are similar, the self-localization effects are much stronger in La{sub 2{minus}x}Sr{sub x}NiO{sub 4}.
- OSTI ID:
- 127784
- Report Number(s):
- CONF-920376--
- Journal Information:
- Bulletin of the American Physical Society, Journal Name: Bulletin of the American Physical Society Journal Issue: 9 Vol. 37; ISSN 0003-0503; ISSN BAPSA6
- Country of Publication:
- United States
- Language:
- English
Similar Records
Spin-bags, polarons and impurity potentials in La{sub 2{minus}x}Sr{sub x}CuO{sub 4} from first principles
Intrinsic EPR in La{sub 2{minus}x}Sr{sub x}CuO{sub 4} : Manifestation of Three-Spin Polarons
The spin-polaron pairing and the x dependence of the T[sub c] in (La[sub 1[minus]x]Sr[sub x])[sub 2]CuO[sub 4]
Journal Article
·
Mon Nov 30 23:00:00 EST 1992
· Bulletin of the American Physical Society
·
OSTI ID:135570
Intrinsic EPR in La{sub 2{minus}x}Sr{sub x}CuO{sub 4} : Manifestation of Three-Spin Polarons
Journal Article
·
Fri Oct 31 23:00:00 EST 1997
· Physical Review Letters
·
OSTI ID:553143
The spin-polaron pairing and the x dependence of the T[sub c] in (La[sub 1[minus]x]Sr[sub x])[sub 2]CuO[sub 4]
Journal Article
·
Mon Aug 10 00:00:00 EDT 1992
· Modern Physics Letters B; (Singapore)
·
OSTI ID:6977316