Document Detail

Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS(2) nanocrystals.
MedLine Citation:
PMID:  23086438     Owner:  NLM     Status:  Publisher    
The metastable wurtzite nanocrystals of CuGaS(2) have been synthesized through a facile and effective one-pot solvothermal approach. Through the Rietveld refinement on experimental X-ray diffraction patterns, we have unambiguously determined the structural parameters and the disordered nature of this wurtzite phase. The metastability of wurtzite structure with respect to the stable chalcopyrite structure was testified by a precise theoretical total energy calculation. Subsequent high-pressure experiments were performed to establish the isothermal phase stability of this wurtzite phase in the pressure range of 0-15.9 GPa, above which another disordered rock salt phase crystallized and remained stable up to 30.3 GPa, the highest pressure studied. Upon release of pressure, the sample was irreversible and intriguingly converted into the energetically more favorable and ordered chalcopyrite structure as revealed by the synchrotron X-ray diffraction and the high-resolution transmission electron microscopic measurements. The observed phase transitions were rationalized by first-principles calculations. The current research surely establishes a novel phase transition sequence of disorder → disorder → order, where pressure has played a significant role in effectively tuning stabilities of these different phases.
Ningru Xiao; Li Zhu; Kai Wang; Quanqin Dai; Yingnan Wang; Shourui Li; Yongming Sui; Yanming Ma; Jing Liu; Bingbing Liu; Guangtian Zou; Bo Zou
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-10-22
Journal Detail:
Title:  Nanoscale     Volume:  -     ISSN:  2040-3372     ISO Abbreviation:  Nanoscale     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-10-22     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101525249     Medline TA:  Nanoscale     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012, China.
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