New cubic phase of lithium nitride to 200 GPa

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We present a new cubic ({gamma}) Li{sub 3}N phase discovered above 40({+-}5) GPa. Structure and electronic bands are examined at high pressure with synchrotron x-ray diffraction and inelastic x-ray scattering in a diamond anvil cell, and also with first-principles calculations. We observe a dramatic band-gap widening and volume collapse at the phase transition. {gamma}-Li{sub 3}N remains extremely stable and ionic to 200 GPa, with predicted metallization near 8 TPa. The high structural stability, wide band-gap and simple electronic structure of {gamma}-Li{sub 3}N are analogous to that of such lower valence closed-shell solids as NaCl, MgO and Ne, meriting its use ... continued below

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6 p. (0.3 MB)

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Lazicki, A; Maddox, B; Evans, W; Yoo, C S; McMahan, A K; Pickett, W E et al. July 19, 2005.

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We present a new cubic ({gamma}) Li{sub 3}N phase discovered above 40({+-}5) GPa. Structure and electronic bands are examined at high pressure with synchrotron x-ray diffraction and inelastic x-ray scattering in a diamond anvil cell, and also with first-principles calculations. We observe a dramatic band-gap widening and volume collapse at the phase transition. {gamma}-Li{sub 3}N remains extremely stable and ionic to 200 GPa, with predicted metallization near 8 TPa. The high structural stability, wide band-gap and simple electronic structure of {gamma}-Li{sub 3}N are analogous to that of such lower valence closed-shell solids as NaCl, MgO and Ne, meriting its use as a low-Z internal pressure standard.

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6 p. (0.3 MB)

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PDF-file: 6 pages; size: 0.3 Mbytes

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  • Journal Name: Physical Review Letters, vol. 95, no. 4, October 14, 2005, pp. 165503; Journal Volume: 95; Journal Issue: 4

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  • Report No.: UCRL-JRNL-214038
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 936466
  • Archival Resource Key: ark:/67531/metadc896973

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  • July 19, 2005

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  • Sept. 27, 2016, 1:39 a.m.

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  • April 13, 2017, 6:22 p.m.

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Lazicki, A; Maddox, B; Evans, W; Yoo, C S; McMahan, A K; Pickett, W E et al. New cubic phase of lithium nitride to 200 GPa, article, July 19, 2005; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc896973/: accessed June 25, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.