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RESEARCH PRODUCT
Structural, vibrational and electrical study of compressed BiTeBr
Oscar GomisCatalin PopescuAlfredo SeguraPlácida Rodríguez-hernándezFrancisco Javier ManjónA. L. J. PereiraA. L. J. PereiraP. RuleovaAlfonso MuñozRosario VilaplanaJuan Angel SansCestmir Drasarsubject
DiffractionElectron mobilityPhase transitionMaterials sciencepolovodičeletadlovznikchemistry.chemical_elementMetoda rozšířené vlnasemiconductors02 engineering and technology01 natural sciencesBismuthpressureCondensed Matter::Materials Sciencesymbols.namesakeinitio molekulové dynamikyAb initio quantum chemistry methodsinitio molecular-dynamicsbasis-set0103 physical sciencesemergenceZákladem-setTopological orderphase010306 general physicstlakCondensed matter physicsbusiness.industrytransitionpřechodfáze021001 nanoscience & nanotechnologytotal-energy calculationsSemiconductorchemistryFISICA APLICADAaugmented-wave methodsymbolsplaneCelkové energetické výpočty0210 nano-technologybusinessRaman scatteringdescription
Compresed BiTeBr has been studied from a joint experimental and theoretical perspective. Room-temperature x-ray diffraction, Raman scattering, and transport measurements at high pressures have been performed in this layered semiconductor and interpreted with the help of ab initio calculations. A reversible first-order phase transition has been observed above 6–7 GPa, but changes in structural, vibrational, and electrical properties have also been noted near 2 GPa. Structural and vibrational changes are likely due to the hardening of interlayer forces rather than to a second-order isostructural phase transition while electrical changes are mainly attributed to changes in the electron mobility. The possibility of a pressure-induced electronic topological transition and of a pressure-induced quantum topological phase transition in BiTeBr and other bismuth tellurohalides, like BiTeI, is also discussed.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-01-15 |