A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2$-$ ions during temperature-induced solid--solid phase transitions

Somer M, Schnering HGV, Hochrein O, Zahn D (2014)

Publication Type: Journal article

Publication year: 2014

Journal

Solid State Communications Elsevier

Book Volume: 188

Pages Range: 32-35

DOI: 10.1016/j.ssc.2014.02.017

Abstract

The temperature-induced solid--solid transformation of Rb2[PH] and Cs2[PH] is characterized from both experiment and theory. Neutron diffraction, IR-spectroscopy and ab-initio molecular dynamics simulations reveal an asymmetric shift of the lattice constants at 80 K. The molecular mechanism of the structural transformation as identified from IR-spectroscopy and ab-initio molecular dynamics simulations is closely connected to the orientation of the [PH]2- moieties which undergo a partial order-- disorder phase transition.

Authors with CRIS profile

Dirk Zahn Professur für Theoretische Chemie

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

Involved external institutions

Koç-Universität (KU) TR Turkey (TR) Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids DE Germany (DE)

How to cite

APA:

Somer, M., Schnering, H.G.V., Hochrein, O., & Zahn, D. (2014). A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2$-$ ions during temperature-induced solid--solid phase transitions. Solid State Communications, 188, 32-35. https://dx.doi.org/10.1016/j.ssc.2014.02.017

MLA:

Somer, M., et al. "A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2$-$ ions during temperature-induced solid--solid phase transitions." Solid State Communications 188 (2014): 32-35.

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