First principles calculation and experimental investigation of lattice dynamics in the rare earth pyrochlores R2Ti2O7 (R=Tb, Dy, Ho) release_vujgpbunuvhspfxrme22oqulky

by M Ruminy, M Nunez Valdez, B Wehinger, A Bosak, D T Adroja, U Stuhr, K Iida, K Kamazawa, E Pomjakushina, D Prabhakaran, M K Haas, L Bovo (+6 others)

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abstracts[] {'sha1': '73df1e4c2b7da4efd4e047c658ec72f0aafea490', 'content': 'We present a model of the lattice dynamics of the rare earth titanate\npyrochlores R2Ti2O7 (R=Tb, Dy, Ho), which are important materials in the study\nof frustrated magnetism. The phonon modes are obtained by density functional\ncalculations, and these predictions are verified by comparison with scattering\nexperiments. Single crystal inelastic neutron scattering is used to measure\nacoustic phonons along high symmetry directions for R=Tb, Ho; single crystal\ninelastic x-ray scattering is used to measure numerous optical modes throughout\nthe Brillouin zone for R=Ho; and powder inelastic neutron scattering is used to\nestimate the phonon density of states for R=Tb, Dy, Ho. Good agreement between\nthe calculations and all measurements is obtained, allowing confident\nassignment of the energies and symmetries of the phonons in these materials\nunder ambient conditions. The knowledge of the phonon spectrum is important for\nunderstanding spin-lattice interactions, and can be expected to be transferred\nreadily to other members of the series to guide the search for unconventional\nmagnetic excitations.', 'mimetype': 'text/plain', 'lang': 'en'}
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{'index': 1, 'creator_id': None, 'creator': None, 'raw_name': 'M Nunez Valdez', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 2, 'creator_id': None, 'creator': None, 'raw_name': 'B Wehinger', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 3, 'creator_id': None, 'creator': None, 'raw_name': 'A Bosak', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 4, 'creator_id': None, 'creator': None, 'raw_name': 'D T Adroja', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 5, 'creator_id': None, 'creator': None, 'raw_name': 'U Stuhr', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 6, 'creator_id': None, 'creator': None, 'raw_name': 'K\n Iida', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 7, 'creator_id': None, 'creator': None, 'raw_name': 'K Kamazawa', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 8, 'creator_id': None, 'creator': None, 'raw_name': 'E Pomjakushina', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 9, 'creator_id': None, 'creator': None, 'raw_name': 'D Prabhakaran', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 10, 'creator_id': None, 'creator': None, 'raw_name': 'M K Haas', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 11, 'creator_id': None, 'creator': None, 'raw_name': 'L Bovo', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 12, 'creator_id': None, 'creator': None, 'raw_name': 'D\n Sheptyakov', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 13, 'creator_id': None, 'creator': None, 'raw_name': 'A Cervellino', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 14, 'creator_id': None, 'creator': None, 'raw_name': 'R J Cava', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 15, 'creator_id': None, 'creator': None, 'raw_name': 'M Kenzelmann', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 16, 'creator_id': None, 'creator': None, 'raw_name': 'N A Spaldin', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
{'index': 17, 'creator_id': None, 'creator': None, 'raw_name': 'T Fennell', 'given_name': None, 'surname': None, 'role': 'author', 'raw_affiliation': None, 'extra': None}
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language en
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release_date 2016-04-14
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release_type article
release_year 2016
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title First principles calculation and experimental investigation of lattice dynamics in the rare earth pyrochlores R2Ti2O7 (R=Tb, Dy, Ho)
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arxiv.base_id 1604.04160
arxiv.categories ['cond-mat.mtrl-sci', 'cond-mat.other']
arxiv.comments 15 pages, 11 figures
arxiv.journal_ref Phys. Rev. B 93 214308 (2016)
superceded True