Negative compressibility of selenium chains confined in the channels of AlPO4-5 single crystals

Pressure-induced structural and electronic variations of Se helical chains confined in nano-channels of zeolite single crystals are studied. Raman and optical absorption spectra provide us with evidence of softened vibration modes and band gap reduction under high pressure. We reveal that the Se chains elongate under hydrostatic compression by ab initio calculations. The changes in morphology lead to a softening of phonons and narrowing of energy gaps consistent with observations from optical measurements. The present investigation demonstrates negative compressibility of Se chains in one-dimensional channels of a zeolite framework.

[1]  H. Mao,et al.  Vibrational dynamics and stability of the high-pressure chain and ring phases in S and Se. , 2007, The Journal of chemical physics.

[2]  Pascale Launois,et al.  Geometry, phase stability, and electronic properties of isolated selenium chains incorporated in a nanoporous matrix. , 2005, Journal of the American Chemical Society.

[3]  Jin-ming Dong,et al.  Raman modes of the deformed single-wall carbon nanotubes , 2005, 0707.4353.

[4]  Z. M. Li,et al.  Resonant Raman study of confined Se single helix and Se8 rings , 2005 .

[5]  H. Mao,et al.  Novel chain structures in group VI elements , 2005 .

[6]  M. Saboungi,et al.  Optical spectroscopy on Se clusters and chains confined in zeolites , 2003, The European physical journal. E, Soft matter.

[7]  J. Maultzsch,et al.  Pressure and polarization‐angle dependent Raman spectra of aligned single‐wall carbon nanotubes in AlPO4‐5 crystal channels , 2002 .

[8]  H. Ohtani,et al.  A new type of Bloch Wilson metal insulator transition in liquid Se near the critical point and under pressure , 2001 .

[9]  K. Nagata,et al.  Pressure‐Induced Metallization and Structural Transition of Orthorhombic Se , 2001 .

[10]  J. Kornblatt Materials with Negative Compressibilities , 1998, Science.

[11]  Baughman,et al.  Materials with negative compressibilities in one or more dimensions , 1998, Science.

[12]  J. Caro,et al.  Polarized Raman spectra of selenium species confined in nanochannels of AlPO4-5 single crystals , 1997 .

[13]  Zikang Tang,et al.  Polarized Raman spectra of Se chains isolated in channels of AlPO4-5 single crystal , , 1997 .

[14]  Zikang Tang,et al.  Absorption spectra of Se and HgI2 chains in channels of AlPO4-5 single crystal , 1997 .

[15]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[16]  B. Elouadi,et al.  Atomic structure of selenium inserted in zeolites of the Na-mordenite type , 1996 .

[17]  G. Ackland,et al.  A theoretical study of selenium I under high pressure , 1993 .

[18]  S. Qiu,et al.  Synthesis and structure of the [AlPO4]12 Pr4NF molecular sieve with AFI structure , 1989 .

[19]  R. O. Jones,et al.  Sulfur and selenium helices: Structure and electronic properties , 1988 .

[20]  S. Yamasaki,et al.  The Isolated Se Chains in the Channels of Mordenite Crystal , 1986 .

[21]  K. Nagata,et al.  Raman Spectra of Rhombohedral and α-Monoclinic Selenium under High Hydrostatic Pressure , 1983 .

[22]  R. Martin,et al.  Intermolecular bonding and lattice dynamics of Se and Te , 1976 .