题目：New physics at ultra-high pressures

报告人：Prof. Erio Tosatti, International  School  for Advanced Studies (SISSA),  Italy

时间：10月27日上午10:00

地点：新楼520会议室

摘要：Condensed matter as we know it gives way to a completely new unexplored world at megabar pressures. High pressure simulations, particularly of the first principles type, [1] provide a privileged access to this world which complements and in some cases overrides experiment. Without entering technical details, and depending on time, I will briefly review some theoretical case studies which highlight interesting physical phenomena in a variety of high pressure systems such as H₂O[2] , Fe[3], CO₂[4,5], HD[6], O₂[7], MoS₂[8,9], CS₂[10], BaBiO₃[11].

 (*) Recent work in collaboration with D. Ceresoli, RY. Crespo, R. Martonak, S. Scandolo, and others.

[1] "Structural phase transformations via first-principles simulation", P. Focher, G.L. Chiarotti, M. Bernasconi, E. Tosatti, M. Parrinello, Europhys. Lett. 26, 345 (1994).

[2] "Superionic and metallic states of water and of ammonia at giant planet's conditions", C. Cavazzoni, G.L. Chiarotti, S. Scandolo, E. Tosatti, M. Bernasconi, M. Parrinello, Science 283, 44 (1999). 

[3] "Physics of iron at earth's core conditions", A. Laio, S.Bernard, G.L. Chiarotti, S. Scandolo, E. Tosatti, Science 287, 1027 (2000). 

[4] "Pressure-induced solid carbonates from molecular CO_2", S. Serra, C. Cavazzoni, G.L. Chiarotti, S. Scandolo, E. Tosatti, Science 284, 788 (1999). 

[5]"High-pressure polymeric phases of carbon dioxide" J. Sun, D.D. Klug, R. Martonak, J.A. Montoya, M.S. Lee, S. Scandolo, E. Tosatti, Proc. Natl. Acad. Sci. USA, 106, 6077 (2009).

[6] "Theory of the reentrant quantum rotational phase transition in high-pressure HD" , Y. Crespo, A. Laio, G.E. Santoro, E. Tosatti, Phys. Rev. B 84, 144119 (2011).   

[7] "Collective spin 1 singlet phase in high-pressure oxygen", Y. Crespo, M. Fabrizio, S. Scandolo, E. Tosatti,  Proc. Natl. Acad. Sci. USA, 111, 10427 ( 2014). 

[8] "Structure change, layer sliding, and metallization in high-pressure MoS2" L. Hromadova, R. Martonak, E. Tosatti, Phys. Rev. B 87, 144105 (2013). 

[9] "High-pressure structure, decomposition, and superconductivity of MoS2" O. Kohulak, R. Martonak, E. Tosatti, Phys. Rev. B 91, 144113 (2015). 

[10] "High-pressure layered structure of carbon disulfide" S. Shahab Naghavi, Y. Crespo, R. Martonak, E. Tosatti, Phys. Rev. B 91, 224108 (2015). 

[11] "BaBiO3 refuses to metallize at high pressures"  D. Ceresoli, R. Martonak, T. Kagayama, K. Shimizu, in preparation.