Full-text resources of PSJD and other databases are now available in the new Library of Science.
Visit https://bibliotekanauki.pl

Refine search results

Journals help

  1. 1 Open Physics

Years help

  1. 1 2010

Authors help

  1. 1 Cui S.

  2. 1 Feng W.

  3. 1 Feng Z.

  4. 1 Hu H.

Preferences help
Polish version English version Language
enabled [disable] Abstract
Number of results

Results found: 1

Number of results on page
first rewind previous Page / 1 next fast forward last

Search results

help Sort By:

help Limit search:
first rewind previous Page / 1 next fast forward last
1
Content available remote

First-principles study of zinc-blende to rocksalt phase transition in BN

100%
Cui S., Feng W., Hu H., Feng Z.
Open Physics
|
2010
|
vol. 8
|
issue 4
628-633
EN
The structural, electronic and elastic properties of the cubic boron nitride (BN) compound are investigated by a first-principle pseudopotential method. The calculations show that the structural phase transition from the zinc-blende(ZB) structure to the rocksalt (RS) structure occurs at a transition pressure of 1088 GPa and with a volume reduction of 3.1%. Both the ZB and RS structures of BN have indirect gaps, with energy gaps of 4.80 eV and 2.11 eV, respectively. The positive pressure derivative of the indirect band gap (Γ-X) energy for the the ZB phase and the predicted ultrahigh metallization pressure are attributed to the absence of d occupations in the valence bands. The increase of the shear modulus with increasing pressure implies that the lattice stability becomes higher when BN is compressed.
first rewind previous Page / 1 next fast forward last
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.