Oxygen atoms and molecules at La1-x Srx MnO3 surfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 4, 2010, Pages

  Harrison, Walter A ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77954773709     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.045433     Document Type: Article

References (18)

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9. Elementary Electronic Structure, revised edition (World Scientific, Singapore, 2004).
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11. Walter A. Harrison, e-print arXiv:0807.2248 (unpublished).
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14. See, for example, Walter A. Harrison, Applied Quantum Mechanics (World Scientific, Singapore, 2000), p. 192.
15. If such a transfer did occur for the up-spin z x states, the rebounding molecule would be captured, leading after phonon energy loss to z = 1.65 Å. Such a transfer initially leaves an electron in the antibonding σ state which might be expected to promote a splitting of the molecule. However, when we minimized the energy with respect to the molecular spacing, with the electron transferred to the crossing level, we found the spacing never grew beyond 1.44 Å.
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