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For mode 1 (soft mode), the atomic displacements calculated from the phonon eigenvector indicate that the contributions from the Slater, Last, and Axe modes are approximately 71%, 24%, and 5%, respectively.
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For mode 1 (soft mode), the atomic displacements calculated from the phonon eigenvector indicate that the contributions from the Slater, Last, and Axe modes are approximately 71 %, 24 %, and 5 %, respectively.
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Note here that the assignment of the optical phonons in this reference is in part different from that shown in this work, although the calculated dispersion relations seem to be similar.
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Note here that the assignment of the optical phonons in this reference is in part different from that shown in this work, although the calculated dispersion relations seem to be similar.
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see arXiv:0910.5764 for English version].
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