TY  - JOUR
AU  - Xu, Ming
AU  - Jakobs, Stefan
AU  - Mazzarello, Riccardo
AU  - Cho, Ju-Young
AU  - Yang, Zhe
AU  - Hollermann, Henning
AU  - Shang, Dashan
AU  - Miao, Xiangshui
AU  - Yu, Zhenhai
AU  - Wang, Lin
AU  - Wuttig, Matthias
TI  - Impact of Pressure on the Resonant Bonding in Chalcogenides
JO  - The journal of physical chemistry  / C C, Nanomaterials and interfaces
VL  - 121
IS  - 45
SN  - 1932-7455
CY  - Washington, DC
PB  - Soc.
M1  - FZJ-2019-06542
SP  - 25447 - 25454
PY  - 2017
AB  - Resonant bonding has been appreciated as an important feature in some chalcogenides. The establishment of resonant bonding can significantly delocalize the electrons and shrink the band gap, leading to low electrical resistivity and soft optical phonons. Many materials that exhibit this bonding mechanism have applications in phase-change memory and thermoelectric devices. Resonant bonding can be tuned by various means, including thermal excitations and changes in composition. In this work, we manipulate it by applying large hydrostatic-like pressure. Synchrotron X-ray diffraction and density functional theory reveal that the orthorhombic lattice of GeSe appears to become more symmetric and the Born effective charge has significantly increased at high pressure, indicating that resonant bonding has been established in this material. In contrast, the resonant bonding is partially weakened in PbSe at high pressure due to the discontinuity of chemical bonds along a certain lattice direction. By controlling resonant bonding in chalcogenides, we are able to modify the material properties and tailor them for various applications in extreme conditions.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000416202900059
DO  - DOI:10.1021/acs.jpcc.7b07546
UR  - https://juser.fz-juelich.de/record/867949
ER  -