NDLI: Extended Hubbard model with renormalized Wannier wave functions in the correlated state III : Statistically consistent Gutzwiller approximation and the metallization of atomic solid hydrogen

Content Provider	Springer Nature Link
Author	Kądzielawa, Andrzej P. Spałek, Jozef Kurzyk, Jan Wójcik, Wlodzimierz
Copyright Year	2013
Abstract	We extend our previous approach [J. Kurzyk, W. Wójcik, J. Spalek, Eur. Phys. J. B 66, 385 (2008); J. Spałek, J. Kurzyk, R. Podsiadły, W. Wójcik, Eur. Phys. J. B 74, 63 (2010)] to modeling correlated electronic states and the metal-insulator transition by applying the so-called statistically consistent Gutzwiller approximation (SGA) to carry out self-consistent calculations of the renormalized single-particle Wannier functions in the correlated state. The transition to the Mott-Hubbard insulating state at temperature T = 0 is of weak first order even if antiferromagnetism is disregarded. The magnitude of the introduced self-consistent magnetic correlation field is calculated and shown to lead to a small magnetic moment in the magnetically uniform state. Realistic value of the applied magnetic field has a minor influence on the metallic-state characteristics near the Mott-Hubbard localization threshold. The whole analysis has been carried out for an extended Hubbard model on a simple cubic (SC) lattice and the evolution of physical properties is analyzed as a function of the lattice parameter for the renormalized 1s-type Wannier functions. Quantum critical scaling of the selected physical properties is analyzed as a function of the lattice constant R → R c = 4.1a 0, where R c is the critical value for metal-insulator transition and a 0 = 0.53 Å is the Bohr radius. A critical pressure for metallization of solid atomic hydrogen is estimated and is ~102 GPa.
Starting Page	1
Ending Page	9
Page Count	9
File Format	PDF
ISSN	14346028
Journal	The European Physical Journal B
Volume Number	86
Issue Number	6
e-ISSN	14346036
Language	English
Publisher	Springer-Verlag
Publisher Date	2013-06-06
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Solid State and Materials Condensed Matter Physics Physics Statistical Physics, Dynamical Systems and Complexity Fluid- and Aerodynamics Solid State Physics
Content Type	Text
Resource Type	Article
Subject	Electronic, Optical and Magnetic Materials Condensed Matter Physics

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4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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