The stability of CsGeX<sub>3</sub> (X = I, Br, Cl) selectively tuned by the crystal structures and halide ions as inferred from the calculated phonon spectrum
Tengcheng Huang, Zheyu Zhang, Baoyun Liang, Ang Li, Xin Xu, Yujia Gao, Zhuxia Wu, Hai-Yan Li, Fei Yuan, Pengyi Liu, Tingting Shi, Weiguang Xie
Abstract
can be manipulated by adjusting the halide composition with a gradual increase in stability observed as halogen atoms shift from I to Cl. This comprehensive approach, integrating the phonon spectrum, innovative measurement indicators, and tolerance factor, presents an effective strategy for designing materials that are both non-toxic and stable.
Topics & Concepts
HalideIonPhononCrystal (programming language)Spectrum (functional analysis)ChemistryStability (learning theory)CrystallographyMolecular physicsAtomic physicsMaterials scienceChemical physicsCondensed matter physicsPhysicsInorganic chemistryQuantum mechanicsOrganic chemistryMachine learningComputer scienceProgramming languageInorganic Chemistry and MaterialsSolid-state spectroscopy and crystallographyCrystal Structures and Properties