Observation of 9-Fold Coordinated Amorphous TiO2 at High Pressure
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- Argonne National Lab. (ANL), Argonne, IL (United States). High Pressure Collaborative Access Team
- Carnegie Inst. of Washington, Argonne, IL (United States)
- Jilin Univ., Changchun (China). State Key Lab. of Superhard Materials
- Univ. of Chicago, IL (United States). Center for Advanced Radiation Sources (CARS)
Knowledge of the structure in amorphous dioxides is important in many fields of science and engineering. In this paper, we report new experimental results of high-pressure polyamorphism in amorphous TiO2 (a-TiO2). Our data show that the Ti coordination number (CN) increases from 7.2 ± 0.3 at ~16 GPa to 8.8 ± 0.3 at ~70 GPa and finally reaches a plateau at 8.9 ± 0.3 at ≲86 GPa. The evolution of the structural changes under pressure is rationalized by the ratio ($$γ$$) of the ionic radius of Ti to that of O. It appears that the CN ≈ 9 plateau correlates with the two 9-fold coordinated polymorphs (cotunnite, Fe2P) with different $$γ$$ values. This CN-$$γ$$ relationship is compared with those of a-SiO2 and a-GeO2, displaying remarkably consistent behavior between CN and $$γ$$. The unified CN-$$γ$$ relationship may be generally used to predict the compression behavior of amorphous AO2 compounds under extreme conditions.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC02-06CH11357; EAR-1722495; FG02-99ER45775; EAR-1620548
- OSTI ID:
- 1607480
- Journal Information:
- Journal of Physical Chemistry Letters, Vol. 11, Issue 2; ISSN 1948-7185
- Publisher:
- American Chemical SocietyCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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