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High-pressure Raman scattering study of defect chalcopyrite and defect stannite ZnGa2Se4
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10.1063/1.4810854
/content/aip/journal/jap/113/23/10.1063/1.4810854
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/23/10.1063/1.4810854

Figures

Image of FIG. 1.
FIG. 1.

ZnGaSe in different structures: (a) Ordered defect chalcopyrite (DC) (model 1 in Ref. ), (b) partially disordered defect stannite (DS) (model 6 in Ref. ), (c) DR, (d) DZ, (e) Layered DCA (model 6 in Ref. ). Big (blue) atoms are Se, small (red) dark atoms are Ga, and small (magenta) light atoms are Zn. Mixed Ga and Zn atoms in DS and DCA structures are shown in rose color. Mixed Ga atoms and vacancies are shown in green color. For the sake of clarity Wyckoff sites are given in parenthesis.

Image of FIG. 2.
FIG. 2.

(a) Unpolarized RT Raman spectra of DC-ZnGa2Se up to 20.1 GPa carried out in the 1st run. The inset shows results from the 2nd run in DC-ZnGa2Se from 20.5 to 24.9 GPa. (b) Pressure dependence of the experimental (symbols) and calculated (lines) vibrational modes in DC-ZnGaSe. Experimental , , and modes are represented by solid triangles (black), solid circles (blue), and solid squares (red), respectively. Open triangles refer to the silent mode of DS-ZnGaSe and the purple hexagons refer to the quasiTO and quasiLO modes with and mixed symmetry. Theoretical calculations for the TO (LO) phonons of pure and symmetry are represented by solid (dashed) lines with blue and red colors, respectively. In the case of modes calculations are shown by solid black lines.

Image of FIG. 3.
FIG. 3.

(a) Unpolarized RT Raman spectra of DS-ZnGaSe up to 22.0 GPa. (b) Pressure dependence of the experimental (symbols) and calculated (lines) vibrational modes in DS-ZnGaSe. Experimental , , , and modes are represented by solid triangles (black), solid circles (green), solid circles (blue), and solid squares (red), respectively. Open triangles refer to the silent mode and the purple hexagons refer to the quasiTO and quasiLO modes with and mixed symmetry. Theoretical calculations for the TO (LO) phonons of pure and symmetry are represented by solid (dashed) lines with blue and red colors, respectively. The calculations for the modes are plotted with solid green lines, and those for the and modes are plotted with solid and dashed-dotted black lines, respectively.

Image of FIG. 4.
FIG. 4.

(a) Raman spectra of the DS-ZnGaSe crystal in the 1st upstroke at 0.5 GPa and in the 1st downstroke at 1.2 GPa with DS and DZ phase, respectively. (b) Raman spectra of the DC-ZnGaSe crystal around 0.3 GPa during the 1st upstroke and during the 1st downstroke in two different zones. The inset on the top shows Raman spectra of the 2nd run of the DC-ZnGaSe crystal at 1.9 GPa in the 1st upstroke and 1.2 GPa in the 1st downstroke.

Image of FIG. 5.
FIG. 5.

(a) Raman spectra of DC-ZnGaSe in zone 2 during the 2nd upstroke of the 1st run up to 22.8 GPa. (b) Pressure dependence of the experimental (symbols) and calculated (lines) vibrational modes in DC-ZnGaSe during the 2nd upstroke in zone 2. Experimental , , and modes are represented by full triangles (black), circles (blue), and squares (red), respectively. Open triangles refer to the silent mode of DS-ZnGaSe and the purple hexagons refer to the quasiTO and quasiLO modes with and mixed symmetry. Orange diamonds refer to the new mode tentatively attributed to the mode of the DCA phase. Theoretical calculations for the TO (LO) phonons of and symmetry are represented by solid (dashed) lines with blue and red colors, respectively. In the case of modes calculations are shown by solid black lines.

Image of FIG. 6.
FIG. 6.

(a) Room-temperature Raman spectra of DZ-ZnGaSe up to 18.8 GPa during the 2nd upstroke. (b) Pressure dependence of the experimental (symbols) vibrational modes in DZ-ZnGaSe during the 2nd upstroke.

Tables

Generic image for table
Table I.

Experimental and calculated Raman frequencies in DC-ZnGaSe at room pressure and their pressure coefficients as obtained from fits to the data using equation,  =  + + , where b was multiplied by a factor 100.

Generic image for table
Table II.

Experimental and calculated Raman frequencies in DC-ZnGaSe at room pressure and their pressure coefficients as obtained from fits to the data using equation, = + + , where b was multiplied by a factor 100.

Generic image for table
Table III.

Experimental Raman frequencies and pressure coefficients observed in DZ-ZnGaSe as obtained from fits to the data using ( = + ) or ( = + ), where b was multiplied by a factor 100.

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/content/aip/journal/jap/113/23/10.1063/1.4810854
2013-06-17
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: High-pressure Raman scattering study of defect chalcopyrite and defect stannite ZnGa2Se4
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/23/10.1063/1.4810854
10.1063/1.4810854
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