Browsing Solid State and Structural Chemistry Unit (SSCU) by Advisor "Ramasesha, S"
Now showing items 1-13 of 13
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Modeling Electronic Properties Of Strongly Correlated Conjugated Molecular Systems
(2015-08-17)Organic conjugated systems are attractive because of wide range of applications, which includes stimulated emission from -conjugated polymers, optical switches, organic solar cells and organic light emitting diodes, to ... -
Modeling Magnetic Anisotropy in Single Chain Magnets
This thesis embodies work on modeling magnetic anisotropy in molecular magnets. Understanding the factors that govern the magnitude of anisotropy in these materials is crucial for tailoring molecules that can be used in ... -
Molecular Dynamics Studies of Diffusion in Confined Regions
Diffusion of guest molecules under confinement of zeolites shows many interesting properties due to guest-host interactions. This thesis explores some of these interesting behaviours relating to the diffusion of guest ... -
Quantum Phases and Magnetization Plateaus of Skewed Spin Ladders
This thesis deals with theoretical studies of skewed spin ladders which are two legged ladder with periodic slanted rung bonds and can be viewed as periodic fused rings with two different number of vertices. The spin at ... -
Real-Time DMRG Dynamics Of Spin And Charge Transport In Low-Dimensional Strongly Correlated Fermionic Systems
(2014-12-11)This thesis deals with out-of-equilibrium transport phenomena in strongly correlated low-dimensional fermionic systems, with special emphasis on π-conjugated molecular materials. The focus of this work is to study real-time ... -
Studies on Frustrated Spin Chains and Quasi-One-Dimensional Conjugated Carbon Systems
(2018-01-28)In this thesis, we investigate the entanglement and magnetic properties of frustrated spin systems and correlated electronic properties of conjugated carbon systems. In chapter 1, we present different approaches to solve ... -
Theoretical Approaches For Modelling Molecular Magnetism
(2010-10-05)In this thesis we have developed electronic and spin model Hamiltonians to understand magnetism in molecule based magnets like photomagnets, high-nuclearity transition metal complexes and single molecule magnets. In ... -
Theoretical Investigation of OPTO-Electronic Processes in Organic Conjugated Systems Within Interacting Models : Exact Diagonalization and DMRG Studies
(2018-05-21)The present thesis deals with a theoretical study of electronic structures in -conjugated molecular materials with focus on their application in organic elec-tronics. We also discuss a modified and efficient symmetrized ... -
Theoretical Studies Of Electronic Properties And Electronic Processes In Conjugated Molecules
(2011-07-08)This thesis deals with theoretical studies of electronic properties of organic conjugated molecules. The first chapter introduces different classes of organic conjugated molecules which possess high hole mobility, large ... -
Theoretical Studies of Skewed Spin Ladders and Polycyclic Aromatic Hydrocarbons
This thesis is an effort to understand electronic structure and optical properties of low-dimensional conjugated molecules such as polyatomic aromatic hydrocarbons and nanoribbons composed of perylene monomers in addition ...