Please use this identifier to cite or link to this item: https://libjncir.jncasr.ac.in/xmlui/handle/123456789/3072
Title: Coupled electronic charge, spins, phonons and lattice imperfections in multiferroics and 2D nano-materials : First-principles Analysis
Authors: Waghmare, Umesh V.
Shirodkar, Sharmila N.
Keywords: Nano-materials
Issue Date: 2014
Publisher: Jawaharlal Nehru Centre for Advanced Scientific Research
Citation: Shirodkar, Sharmila N. 2014, Coupled electronic charge, spins, phonons and lattice imperfections in multiferroics and 2D nano-materials : First-principles Analysis, Ph.D thesis, Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru
Abstract: Technological growth has often been fueled by the discovery of materials exhibiting exotic properties and improved efficiency. With advances in computational resources and scientific theories, materials can be designed and their response to external stimulii can be determined through computer simulations. To this end, first-principles Density Functional Theory-based simulations have become powerful tools that enable accurate estimation of properties of materials. They permit prediction of the stability of new materials and their properties under the influence of external fields, and at the same time, provide access to atomistic information that is not readily accessible to experiments. In addition, these simulations can be used to evaluate a material’s applicability and use in devices.
URI: https://libjncir.jncasr.ac.in/xmlui/handle/123456789/3072
Appears in Collections:Student Theses (TSU)

Files in This Item:
File Description SizeFormat 
8830.pdf7.64 MBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.