Dr. Benjamin P. Burton
Electronic & Optoelectronics Materials Group

Research Interests

• First-principles phase diagram calculations
• Studies of order-disorder and phase separations
• First-principles-based simulations of relaxor ferroelectrics

Biographical Information

• 1975 BA, UC Santa Barbara, Geology
• 1982 PhD, SUNY-Stony Brook, Earth and Space Sciences
• 1983-1985 NRC Fellowship, NIST

Recent Publications

• 1. V. L. Vinograd, B. P. Burton, J. D. Gale, N. L. Allan, and B. Winkler "Activity-composition relations in the system calcite-magnesite predicted from static structure energy calculations and Monte Carlo simulations", Geochimica Cosmochimica Acta 71, 974 (2007).


• 2. B. P. Burton, E. Cockayne, S. Tinte, and U. V. Waghmare, "The effect of nearest neighbor [Pb-O] divacancy pairs on the ferroelectric-relaxor transition in nano-ordered PbSc_1/2Nb_1/2O₃, Integrated Ferroelectrics, IEEE, in press.


• 3. B. P. Burton and T. Nishimatsu, "First principles phase diagram calculations for the system NaNbO₃-KNbO₃: can spinodal decomposition generate relaxor ferroelectricity?" Applied Physics Letters 91, 092907 (2007).


• 4. L. Bellaiche, Jorge Iniguez, Eric Cockayne, and B. P. Burton, "Effects of vacancies on the properties of disordered ferroelectrics: a first-principles study", Physical Review B 75, 014111 (2007).


• 5. P. E. A. Turchi, I. A. Abrikosov, B. Burton, S. G. Fries, G. Grimvall, L. Kaufman, P. Korzhavyi, V. R. Manga, M. Ohno, A. Pisch, A. Scott, and W. Zhang, "Interface between quantum-mechnical-based approach, experiments, and CALPHAD methodology", Computer Coupling of Phase Diagrams and Thermochemistry 31, 4 (2007).


• 6. S. Tinte, B.P. Burton, E. Cockayne, and U. V. Waghmare, "Origin of the relaxor state in Pb[B_xB'_1-xO₃ perovskites", Physical Review Letters 97, 137601 (2006).


• 7. B.P. Burton, A. van de Walle, and U. Kattner, "First principles phase diagram calculations for the wurtzite-structure systems AlN-GaN, GaN-InN, and AlN-InN", Journal of Applied Physics 100, 113528 (2006).


• 8. B.P. Burton, E. Cockayne, S. Tinte, and U.V. Waghmare, "Correlations between nanoscale chemical and polar order in relaxor ferroelectrics and the length scale for polar nanoregions", Physical Review B 72, 064113 (2005).


• 9. B.P. Burton, E. Cockayne, S. Tinte, and U.V. Waghmare, "First-Principles Based Simulations of Relaxor Ferroelectrics", Phase Transitions 79, 91 (2006).


• 10. B.P. Burton and A. van de Walle, "First-Principles Phase Diagram Calculations for the System NaCl-KCl: the Role of Excess Vibrational Entropy", Chemical Geology 225, 222-229 (2006). in press (2005).


• 11. B.P. Burton, A. Chaka, and D.J. Singh, "Chemical, Magnetic, and Charge Ordering in the System Hematite-Ilmenite, Fe₂O₃-FeTiO₃", Phase Transitions 78, 239 (2005).


• 12. B.P. Burton, U. V. Waghmare, and E. Cockayne, "Random Fields in A(B³⁺_1/2B'⁵⁺_1/2)O₃ and A(B²⁺_1/3B'⁵⁺_2/3)O₃ Relaxor Ferroelectrics", TMS Letters 1, 29 (2004).


• 13. Eric Cockayne, and Benjamin P. Burton, "Dipole moment of a Pb-O vacancy pair in PbTiO₃", Physical Review B 69, 144116 (2004).


• 14. S. A. Prosandeev, E. Cockayne, and B.P. Burton, "First-principles calculations of ionic vibrational frequencies in PbMg_1/3Nb_2/3O₃", Fundamental Physics of Ferroelectrics 2003 (AIP Conference Proceedings 637), 146 (2003), edited by P. K. Davies and D. J. Singh


• 15. S.A. Prosandeev, E. Cockayne, and B.P. Burton, "Energetics of Li ion displacements in K_1-xLi_xTaO₃: first-principles calculations", Physical Review B 68, 014120 (2003).


• 16. U.V. Waghmare, E. Cockayne, and B.P. Burton, "Ferroelectric Phase Transitions in Nano-scale Chemically Ordered PbSc_0.5Nb_0.5O₃ using a First-principles Model Hamiltonian", Ferroelectrics 291, 187 (2003).


• 17. B.P. Burton and A. Van de Walle, "First Principles Based Calculations of the CaCO₃- MgCO₃ Subsolidus Phase Diagrams",  Physics and Chemistry of Minerals 30, 88 (2003).


• 18. B.P. Burton and E. Cockayne, "Unexpected Ground State Structures in Relaxor Ferroeletrics" , Ferroelectrics 270, 173 (2002).


• 19. B.P. Burton and E. Cockayne, "Prediction of the [Na_1/2Bi_1/2TiO₃ Ground State" , Fundamental Physics of Ferroelectrics 2001 (AIP Conference Proceedings 582), 82 (2001), edited by H. Krakauer


• 20. B.P. Burton, N. Dupin, S. G. Fries, G. Grimvall, A. Fernandez Guillermet, P. Miodownik, W. Alan Oates, and V. Viongrad, "Using Ab Initio Calculations in the Calphad Environment" , Zeitschrift fur Metallkunde 92, 514 (2001).


• 21. B.P. Burton and E. Cockayne, "Why Pb(B,B')O₃ Perovskites Disorder at Lower Temperatures than Ba(B,B')O₃ Perovskites" , Physical Review B 60, R12542 (1999).


• 22. B.P. Burton, "Why Pb(B_1/3,B'_2/3)O₃ Perovskites Disorder More Easily than Ba_1/3,B'_2/3)O₃ Perovskites and the Thermodynamics of 1:1-type Short Range Order in PMN" , J. Phys. Chem. Solids 61, 327 (2000).

Curriculum Vitae