Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 21, Issue 17, Pages 8663-8678Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cp00897g
Keywords
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Funding
- German Federal Ministry of Education and Research (BMBF) [05K16KH1]
- National Science Foundation of China [U1532128]
- LNF under the IHEP
- LNF under the INFN
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We have conducted a comprehensive investigation of the optical and vibrational properties of the binary semiconductor SnSe as a function of temperature and pressure by means of experimental and ab initio probes. Our high-temperature investigations at ambient pressure have successfully reproduced the progressive enhancement of the free carrier concentration upon approaching the Pnma -> Bbmm transition, whereas the pressure-induced Pnma -> Bbmm transformation at ambient temperature, accompanied by an electronic semiconductor -> semi-metal transition, has been identified for bulk SnSe close to 10 GPa. Modeling of the Raman-active vibrations revealed that three-phonon anharmonic processes dominate the temperature-induced mode frequency evolution. In addition, SnSe was found to exhibit a pressure-induced enhancement of the Born effective charge. Such behavior is quite unique and cannot be rationalized within the proposed effective charge trends of binary materials under pressure.
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