% IMPORTANT: The following is UTF-8 encoded. This means that in the presence % of non-ASCII characters, it will not work with BibTeX 0.99 or older. % Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or % “biber”. @ARTICLE{Xu:867949, author = {Xu, Ming and Jakobs, Stefan and Mazzarello, Riccardo and Cho, Ju-Young and Yang, Zhe and Hollermann, Henning and Shang, Dashan and Miao, Xiangshui and Yu, Zhenhai and Wang, Lin and Wuttig, Matthias}, title = {{I}mpact of {P}ressure on the {R}esonant {B}onding in {C}halcogenides}, journal = {The journal of physical chemistry / C C, Nanomaterials and interfaces}, volume = {121}, number = {45}, issn = {1932-7455}, address = {Washington, DC}, publisher = {Soc.}, reportid = {FZJ-2019-06542}, pages = {25447 - 25454}, year = {2017}, abstract = {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.}, cin = {PGI-10}, ddc = {530}, cid = {I:(DE-Juel1)PGI-10-20170113}, pnm = {521 - Controlling Electron Charge-Based Phenomena (POF3-521)}, pid = {G:(DE-HGF)POF3-521}, typ = {PUB:(DE-HGF)16}, UT = {WOS:000416202900059}, doi = {10.1021/acs.jpcc.7b07546}, url = {https://juser.fz-juelich.de/record/867949}, }