Browsing by Advisor "Jain, Manish"
Now showing items 1-10 of 10
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Chemical Vapour Deposition of Tungsten Disulphide Aided by Thermodynamic and Density Functional Theory Modelling
Transition metal dichalcogenides (TMDs) are versatile materials that offer a wide variety of applications in electronics, sensing, energy, etc. Tungsten disulphide (WS2) is a layered semiconductor TMD with impressive ... -
Effects of Strong Electron-Electron Correlations on Band Insulators in Equilibrium and Non-Equilibrium
In this thesis, several aspects of correlation effects in band insulators that were hitherto not addressed, both in equilibrium and non-equilibrium, are studied using the Ionic Hubbard model (IHM) at half-filling and ... -
Electronic structure of two-dimensional materials: Effect of point defects and moiré patterns
In the last two decades, research on two-dimensional (2D) materials has gained momentum due to their capability to host a wide range of novel phases of matter. These materials have also found applications in electronic, ... -
First Principles Study of Oxides : Bulk, Interfaces and Defects
In the recent years, oxides have been the focus of numerous theoretical and experimental studies. This is because of a wide variety of exotic physical phenomenon, such as multiferroicity, charge ordering, metal-insulator ... -
First principles study of the structural, electronic, elastic, mechanical, thermal, and vibrational properties in pyrochlores and temperature-dependent phonon properties in pyrochlores and SrTiO3 perovskite
In this thesis, first-principles density functional theory (DFT) calculations are used to study the structural, electronic, elastic, mechanical, and thermal properties in a series of pyrochlore materials. The vibrational ... -
Growth of hole-conducting Cu2O & CuO semiconductors using CVD for next-generation electronic devices: Thin Films Transistors, Memristors, and Gas Sensors
Semiconducting oxides with visible-range transparency and high electrical conductivity have tremendous potential for transparent CMOS devices. Oxide semiconducting materials are a good choice for emerging transparent ... -
Interplay of Electrons and Phonons in 2D Materials
Since the seminal study by Cao et al. in 2018, that revealed the emergence of superconductivity and correlated insulating behaviour in twisted bilayer graphene (TBG), there has been a surge of exciting discoveries in moiré ... -
Manipulating phonons and electrons in two-dimensional materials
Two-dimensional (2D) materials are one or few atoms thick layered materials. The interaction between the layers in their parent three-dimensional material is weak. Therefore, one can stack different 2D materials on top ... -
Role of Oxygen Vacancies in Modification of Electronic Structure of Bulk Oxides
Emergent phenomena in oxides have been receiving a lot of experimental and theoretical interest in the recent decade. In general, oxides host a rich diversity of defects and several new emergent phenomena such as 2-DEG ... -
Taming Electrons in 2D Materials: Influence of Substrates, Defects and Moire Superlattices
Two-dimensional materials have been extensively studied in the last decade owing to the rich physics at reduced dimensions and their applications in electronics and optoelectronics. Controlled modifi cation of electronic ...