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Theoretical determination of the lattice dynamical properties of the mercury based superconductor HgBa2CuO4 |
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| Authors: | N E Christensen M G Stachiotti E L Peltzer y Blancá R L Migoni and C O Rodriguez |
| Affiliation: | (1) Institute of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark;(2) Instituto de Física Rosario, UNR, 27 de Febrero 210 Bis, 2000 Rosario, Argentina;(3) Grupo de Física del Sólido, IFLYSIB, C.C. 565, 1900 La Plata, Argentina |
| Abstract: | A theoretical study of the lattice dynamical properties for the high temperature superconductorH gBa2CuO4 is made within the framework of the shell model. A frozen-phonon first principles determination of frequencies and eingevectors of the Raman active modes is also made. We compare these results with the recent Raman and neutron scattering experimental work and use them to obtain insight for a possible clarification of mode assigment. The origen of the 570 cm–1 shoulder peak that appears in the low frequency side of the oxygenA 1g peak is discussed althought an unambiguous distinction of thisT 1g like defect mode is not possible at present. |
| Keywords: | Lattice Dynamics Phonons Superconductors etc |
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