Pressure-induced structural transition in chalcopyrite ZnSiP2

Bhadram, Venkata S.; Krishna, Lakshmi; Toberer, Eric S.; Hrubiak, Rostislav; Greenberg, Eran; Prakapenka, Vitali B.; Strobel, Timothy A.

doi:10.1063/1.4981889

Pressure-induced structural transition in chalcopyrite ZnSiP₂

Journal Article · Tue May 02 00:00:00 EDT 2017 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4981889· OSTI ID:1466210

Bhadram, Venkata S. ^[1]; Krishna, Lakshmi ^[2]; Toberer, Eric S. ^[2]; Hrubiak, Rostislav ^[3]; ^[4]; Prakapenka, Vitali B. ^[4]; Strobel, Timothy A. ^[5]

Carnegie Inst. for Science, Washington, DC (United States). Geophysical Lab.; Carnegie Institution of Washington
Colorado School of Mines, Golden, CO (United States). Dept. of Physics
Carnegie Inst. of Washington, Argonne, IL (United States). High Pressure Collaborative Access Team (HPCAT). Geophysical Lab.
Univ. of Chicago, IL (United States). Center for Advanced Radiation Sources
Carnegie Inst. for Science, Washington, DC (United States). Geophysical Lab.

In this paper, the pressure-dependent phase behavior of semiconducting chalcopyrite ZnSiP₂ was studied up to 30 GPa using in situ X-ray diffraction and Raman spectroscopy in a diamond-anvil cell. A structural phase transition to the rock salt type structure was observed between 27 and 30 GPa, which is accompanied by soft phonon mode behavior and simultaneous loss of Raman signal and optical transmission through the sample. The high-pressure rock salt type phase possesses cationic disorder as evident from broad features in the X-ray diffraction patterns. The behavior of the low-frequency Raman modes during compression establishes a two-stage, order-disorder phase transition mechanism. Finally, the phase transition is partially reversible, and the parent chalcopyrite structure coexists with an amorphous phase upon slow decompression to ambient conditions.

View Accepted Manuscript (DOE)

Research Organization:: Carnegie Inst. for Science, Washington, DC (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree); Univ. of Chicago, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF) (United States); USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; FG02-94ER14466; FG02-99ER45775; NA0001974; SC0001057

OSTI ID:: 1466210

Alternate ID(s):: OSTI ID: 1355051
OSTI ID: 1361842

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 18 Vol. 110; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

58 GEOSCIENCES
X-ray diffraction
chemical bonds
crystal structure
diamond anvil cells
high pressure
lattice constants
materials modification
order disorder phase transitions
phonons