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Electronic structure and local spectroscopy of 2-D Mott insulators

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dc.contributor.advisor KABIR, MUKUL en_US
dc.contributor.author JHA THAKUR, AMITAYUSH en_US
dc.date.accessioned 2020-06-19T06:43:43Z
dc.date.available 2020-06-19T06:43:43Z
dc.date.issued 2020-04 en_US
dc.identifier.uri http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/4795
dc.description.abstract Here we explore the electronic structure of Monolayer Sn/Si(111) √3 ×√3 which is thought to be a correlated 2D Mott insulator. Previous theoretical considerations have indicated that the system might display a row-wise AFM phase or a 1200 AFM Neel state.Utilizing DFT and DFT+U calculations we compare the various magnetic configurationsto identify the ground state configuration for the system which turns out to be in a row-wise AFM order. The mechanism behind the insulating behaviour can be attributed to be either a weak correlation driven Slater insulator or a true strongly correlated Mott insulator. We show that the system is most likely to be a Slater insulator from our calculations. By examining the core level electronic spectra we are also able to provide an explanation for the 2 double peaks seen in the core level ARPES spectra. Finally, we are able to observe a doping driven insulator to metal transition and calculate the electronic structure and magnetic configuration of these possible doped states. en_US
dc.language.iso en en_US
dc.subject Condensed Matter, Density functional theory en_US
dc.subject Condensed Matter en_US
dc.subject Density functional theory en_US
dc.subject 2020 en_US
dc.title Electronic structure and local spectroscopy of 2-D Mott insulators en_US
dc.type Thesis en_US
dc.type.degree BS-MS en_US
dc.contributor.department Dept. of Physics en_US
dc.contributor.registration 20151021 en_US


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  • MS THESES [1705]
    Thesis submitted to IISER Pune in partial fulfilment of the requirements for the BS-MS Dual Degree Programme/MSc. Programme/MS-Exit Programme

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