Journal
PHYSICAL REVIEW B
Volume 87, Issue 10, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.87.104302
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Funding
- State of Texas through the Texas Center for Superconductivity (TcSUH) at the University of Houston
- NSF-ECCS [ECCS-1247874]
- R. A. Welch Foundation [E-1297]
- Div Of Electrical, Commun & Cyber Sys
- Directorate For Engineering [1247874] Funding Source: National Science Foundation
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We present a combined Raman spectroscopy and density functional perturbation theory (DFPT) study of phonon variation with composition x in the mixed crystals SnSxSe2-x. The experimentally observed two-mode behavior of the A(1g) and E-g vibrations involving Se(S) atoms is shown to arise from the lack of overlapping of the corresponding phonon dispersion bands in SnS2 and SnSe2. This offers a unique opportunity to assess local distortions of the trigonal Sn3Se pyramids in SnSxSe2-x as no Se and S mode mixing is involved. The dependence of local height and base length of Sn3Se pyramids with x is derived by a procedure that uses the measured A(1g) (Se) and E-g (Se) phonons in SnSxSe2-x, those calculated by DFPT for SnSe2 at different hydrostatic pressure, DFPT phonon dispersion, and the contribution from mass-disorder induced phonon self-energy. DOI: 10.1103/PhysRevB.87.104302
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