Current Search: text (x) » Dobrosavljevic, V. (x) » info:fedora/fsu:National_High_Magnetic_Field_Laboratory (x)
-
-
Title
-
First-principles-based Method For Electron Localization: Application To Monolayer Hexagonal Boron Nitride.
-
Creator
-
Ekuma, C. E., Dobrosavljevic, V., Gunlycke, D.
-
Abstract/Description
-
We present a first-principles-based many-body typical medium dynamical cluster approximation and density function theory method for characterizing electron localization in disordered structures. This method applied to monolayer hexagonal boron nitride shows that the presence of boron vacancies could turn this wide-gap insulator into a correlated metal. Depending on the strength of the electron interactions, these calculations suggest that conduction could be obtained at a boron vacancy...
Show moreWe present a first-principles-based many-body typical medium dynamical cluster approximation and density function theory method for characterizing electron localization in disordered structures. This method applied to monolayer hexagonal boron nitride shows that the presence of boron vacancies could turn this wide-gap insulator into a correlated metal. Depending on the strength of the electron interactions, these calculations suggest that conduction could be obtained at a boron vacancy concentration as low as 1.0%. We also explore the distribution of the local density of states, a fingerprint of spatial variations, which allows localized and delocalized states to be distinguished. The presented method enables the study of disorder-driven insulator-metal transitions not only in h-BN but also in other physical materials.
Show less
-
Date Issued
-
2017-03-10
-
Identifier
-
FSU_libsubv1_wos_000396047700006, 10.1103/PhysRevLett.118.106404
-
Format
-
Citation
-
-
Title
-
Multiple Crossovers And Coherent States In A Mott-peierls Insulator.
-
Creator
-
Najera, O., Civelli, M., Dobrosavljevic, V., Rozenberg, M. J.
-
Abstract/Description
-
We consider the dimer Hubbard model within dynamical mean-field theory to study the interplay and competition between Mott and Peierls physics. We describe the various metal-insulator transition lines of the phase diagram and the breakdown of the different solutions that occur along them. We focus on the specific issue of the debated Mott-Peierls insulator crossover and describe the systematic evolution of the electronic structure across the phase diagram. We found that at low intradimer...
Show moreWe consider the dimer Hubbard model within dynamical mean-field theory to study the interplay and competition between Mott and Peierls physics. We describe the various metal-insulator transition lines of the phase diagram and the breakdown of the different solutions that occur along them. We focus on the specific issue of the debated Mott-Peierls insulator crossover and describe the systematic evolution of the electronic structure across the phase diagram. We found that at low intradimer hopping, the emerging local magnetic moments can unbind above a characteristic singlet temperature T*. Upon increasing the interdimer hopping, subtle changes occur in the electronic structure. Notably, we find Hubbard bands of a mix character with coherent and incoherent excitations. We argue that this statemight be relevant formaterials such as VO2 and its signaturesmay be observed in spectroscopic studies, and possibly through pump-probe experiments.
Show less
-
Date Issued
-
2018-01-09
-
Identifier
-
FSU_libsubv1_wos_000419615700005, 10.1103/PhysRevB.97.045108
-
Format
-
Citation
