Infrared activity in elemental crystals
| dc.contributor | Virginia Tech | en |
| dc.contributor.author | Zallen, Richard H. | en |
| dc.contributor.author | Martin, R. M. | en |
| dc.contributor.author | Natoli, V. | en |
| dc.contributor.department | Physics | en |
| dc.date.accessed | 2014-04-23 | en |
| dc.date.accessioned | 2014-05-07T15:36:59Z | en |
| dc.date.available | 2014-05-07T15:36:59Z | en |
| dc.date.issued | 1994-03 | en |
| dc.description.abstract | In a previous paper, Zallen [Phys. Rev. 173, 824 (1968)] reported a group-theoretical analysis of the competition between unit-cell complexity and crystal symmetry in determining the presence or absence of infrared-active phonons in an elemental crystal. Here we correct an error in that paper's treatment of certain hexagonal space groups. Our results modify the minimum-complexity condition for infrared activity: For 228 of the 230 space groups, a necessary and sufficient condition for the existence of symmetry-allowed infrared-active modes in an elemental crystal is the presence of three or more atoms in the primitive unit cell. The two exceptional space groups are P6/mmm (D6h1) and P6(3)/mmm (D6h4); for each of these symmetries, there exists one structure with four atoms per cell and no infrared modes. The P6(3)/mmc structure includes, as special cases, Lonsdaleite (or ''wurtzite silicon'') as well as a c-axis-aligned hcp arrangement of diatomic molecules which is relevant to models of solid molecular hydrogen at high pressure. | en |
| dc.identifier.citation | Zallen, R.; Martin, R. M.; Natoli, V., "Infrared activity in elemental crystals," Phys. Rev. B 49, 7032 DOI: http://dx.doi.org/10.1103/PhysRevB.49.7032 | en |
| dc.identifier.doi | https://doi.org/10.1103/PhysRevB.49.7032 | en |
| dc.identifier.issn | 0163-1829 | en |
| dc.identifier.uri | http://hdl.handle.net/10919/47853 | en |
| dc.identifier.url | http://journals.aps.org/prb/abstract/10.1103/PhysRevB.49.7032 | en |
| dc.language.iso | en_US | en |
| dc.publisher | American Physical Society | en |
| dc.rights | In Copyright | en |
| dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | en |
| dc.subject | megabar pressures | en |
| dc.subject | solid hydrogen | en |
| dc.subject | physics, condensed matter | en |
| dc.title | Infrared activity in elemental crystals | en |
| dc.title.serial | Physical Review B | en |
| dc.type | Article - Refereed | en |
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