High resolution NMR evidence for displacive behavior in hydrogen-bonded ferroelectrics and antiferroelectrics

Ferroelectrics

Volumn 337, Issue , 2006, Pages 3-12

  Dalal, N S ^a   Gunaydin Sen, O ^a   Fu, R ^a   Achey, R ^a   Pierce, K L ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

Displacive phase transition; High resolution NMR; KDP type ferroelectrics; Order disorder phase transition

Indexed keywords

DISPLACIVE PHASE TRANSITION; HIGH RESOLUTION NMR; KDP-TYPE FERROELECTRICS; ORDER-DISORDER PHASE TRANSITION;

ANTIFERROELECTRIC MATERIALS; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE; PHASE TRANSITIONS; SINGLE CRYSTALS;

FERROELECTRIC MATERIALS;

EID: 33746818314     PISSN: 00150193     EISSN: 15635112     Source Type: Conference Proceeding    
DOI: 10.1080/00150190600713876     Document Type: Conference Paper

References (32)

1. R. Blinc, Ferroelectrics 1966-2001. Ferroelectrics 267, 3-22 (2002).
2. R. Blinc and B. Zeks, Soft Modes in Ferroelectrics and Antiferroelectrics, Elsevier, NY (1974).
3. D. Semmingsen, The structure of Squaric acid (3,4-dihydroxy-3- cyclobutene-1,2 dione. Tetrahedron Lett. 14, 807-808 (1973).
4. E. J. Samuelsen and D. Semmingsen, Squaric acid, a two dimensional hydrogen bonded material with a phase transition. Sol. St. Commun. 17 , 217-219 (1975).
5. D. Semmingsen and J. Feder, A structural phase transition in Squaric acid. Sol. St. Commun. 15, 1369-1372 (1974).
6. D. Semmingsen, Z. Tun, R. J. Nelms, R. K. McMullan, and T. F. Koetzele, On the temperature dependence of the hydrogen bond order in squaric acid: Neutron diffraction studies at four different temperatures. Zeit. Kristall. 210, 934-940 (1995).
7. C. Rovira, J. Novoa, and P. Ballone, Hydrogen bonding and collective proton modes in clusters and periodic layers of squaric acid: a density functional study. J. Chem. Phys. 115, 6406-6417 (2001).
8. J. Palomar and N. S. Dalal, Quantum theoretical evidence for two distinct hydrogen- bonding networks and for an ising chain model of the antiferroelectric transition in Squaric acid. J. Phys. Chem. B 106, 4799-4805 (2002).
9. K. D. Ehrhardt, U. Buchenau, E. J. Sammuelsen, and H. D. Maier, One-dimensional molecular correlations in squaric acid as observed by neutron scattering. Phys. Rev. B 29, 996-1007 (1984).
10. R. Blinc, On the isotopic effects in the ferroelectric behaviour of crystals with short hydrogen bonds. J. Phys. Chem. Solids 13, 204-211 (1960).
11. R. Blinc, B. Zeks, J. F. Xampiao, A. S. T. Pires, and F. C. Barreto, Ising model in a transverse tunneling field and proton-lattice interaction in H-bonded ferroelectrics. Phys Rev B 20, 1991-2001 (1979).
12. 4-type crystals. Phys. Rev. B 36, 874-876 (1987).
13. Z. Tun et al., J. Phys. C 21, 245 (1988);
14. 4. J. Phys. C, 21, 245-258 (1988);
15. McMahon, et al., Nature 348, 317-319 (1990).
16. S. Koval, J. Kohanoff, R. L. Migoni, and E. Tosatti, Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals. Phys. Rev. Lett. 89, 187602 (2002).
17. 4. Phys. Rev. Lett. 38, 92-95 (1977).
18. 2). Phys. Rev. Lett. 42, 317-321. (1979).
19. 13C NMR. Phys. Rev. Lett. 47, 366-370 (1981).
20. A. N. Klymachyov and N. S. Dalal, Magic angle spinning NMR on single crystals as a new aid in characterizing phase transitions: application to squaric acid. Z. Phys. B, 104, 651-656 (1997).
21. N. Dalal, A. N. Klymachyov, and A. Bussmann-Holder: Coexistence of order-disorder and displacive features at the phase transitions in hydrogen-bonded solids: squaric acid and its analogs. Phys. Rev. Lett. 81, 5924-5927 (1998).
22. 4-type crystals: role of electronic instability in the ferroelectric transition mechanism. J. Phys. Condens. Matter 13, L231-L237 (2001).
23. 17O NMR and theoretical studies of the antiferroelectric phase transition in squaric acid. J. Phys. Chem. 107, 3471-3475 (2003).
24. 15N NMR Evidence. Ferroelectrics 337, 153-160 (2006).
25. C. A. Fyfe, Solid State NMR for Chemists, CRC Press, Boca Raton, Florida,(1984).
26. 13C NMR of organic solids using high-power proton decoupling and magic-angle sample spinning. J. Magn. Reson. 44, 361-401 (1981).
27. A. N. Klymachyov and N. S. Dalal, Spinning crystals leads to a significant resolution enhancement in magic angle spinning NMR spectra. Sol. St. Nuc. Magn. Reson. 9, 85-89 (1997).
28. A. N. Klymachyov and N. S. Dalal, Discriminating between the displacive vs. order-disorder character of a phase transition by magic angle spinning NMR. Ferroelectrics 206-207, 103-112 (1998).
29. R. Fu, A. N. Klymachyov, G. Bodenhausen, and N. S. Dalal, Temperature jump 2D NMR spectroscopy in crystalline solids: A technique for correlating molecular reorientation across the phase boundary of an order-disorder lattice. J. Phys. Chem. 102, 8732-8735 (1998).
30. E. J. Samuelsen, U. Buchenau, M. Dieter, K. Ehrhardt, E. Fjaer, and H. Grimm, Recent neutron and raman spectroscopic studies of squaric acid, a low-dimensional hydrogen-bonded material. Phys. Scripta 25, 685-687 (1982).
31. 4. J. Chem. Phys. 66, 4425-4432 (1977).
32. 4 (ferroelectrics and antiferroelectrics). J. Chem. Phys. 57, 4254-4265 (1972).