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Large calculated electron-phonon interactions in La[sub 2[minus][ital x]M[ital x]]CuO[sub 4]

Journal Article · · Physical Review, B: Condensed Matter; (United States)
 [1];  [2];  [3]
  1. Department of Physics, College of William and Mary, P.O. Box 8795, Williamsburg, Virginia 23187-8795 (United States)
  2. Complex Systems Theory Branch, Code 6690, Naval Research Laboratory, Washington, D.C. 20375-5320 (United States)
  3. Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, N.W. Washington, D.C. 20015-1305 (United States)
Results of self-consistent linearized-augmented-plane-wave calculations within the local-density-functional approximation (LDA) are presented of the electron-phonon-induced linewidths and interaction strength of selected phonons in La[sub 2[minus][ital x]M[ital x]]CuO[sub 4] at [ital x]=0.15. Through the use of a supercell geometry, rigid-ion-type approximations are avoided and the full electron-phonon matrix elements are determined from finite differences of the LDA potentials corresponding to frozen-in phonon at [Gamma] [ital X], and [ital Z]. At the [ital X] point, all fully symmetric [ital A][sub [ital g]] modes (i.e., having the symmetry of the oxygen planar-breathing mode) as well as three modes having [ital B][sub 3[ital g]] symmetry are examined. Small linewidths were found for the three [ital B][sub 3[ital g]] modes, and moderate linewidths for the [ital A][sub [ital g]] modes, the largest corresponding to ratios [gamma][sub [ital q],[nu]]/[omega][sub [ital q],[nu]]=0.02 for the oxygen breathing and axial modes.
OSTI ID:
7118751
Journal Information:
Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 47:2; ISSN PRBMDO; ISSN 0163-1829
Country of Publication:
United States
Language:
English