Browsing Physics (PHY) by Subject "Density Functional Theory"
Now showing items 1-4 of 4
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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 ... -
Structural, Electronic And Vibrational Properties Of n-layer Graphene With And Without Doping : A Theoretical Study
(2011-07-11)Graphene – a two-dimensional honeycomb lattice of sp2-bonded carbon atoms – has been attracting a great deal of research interest since its first experimental realization in 2004, due to its various novel properties and ... -
Topics in the statistical mechanics of extended objects
In this thesis, we study some aspects of the equilibrium and nonequilibrium statistical mechanics of physical systems with extended spatial degrees of freedom. The specific systems we model are: The Abrikosov fiux lattice ... -
Two dimensional vortices in the presence of a periodic potential
The major features of the phase diagram obtained from the simulation have been reproduced qualitatively in the density functional study. Of course, the DFT does not capture the continuous nature of the transition, which ...