Department of Physics, Allama Iqbal Open University Islamabad,
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Two dimensional materials also known as monolayers or low dimensional materials are hot topics of latest research of the present era. With the saturation of devices based on conventional semiconductor materials such as Silicon and Germanium, the researches have to think over other materials that can replace conventional semiconductor materials. After successful experimental realization of Graphene and other 2D materials, the search for new two dimensional materials exhibiting semiconductor-like properties with reasonable bandgap for device applications is under its way. The properties of these 2D materials are wholly different from their bulk counterparts.
Structure-property relationship is an important parameter for these low dimensional materials. The properties of the materials change drastically with the reduction of dimension. The structure of the material plays a vital role in the prediction of a new material. Predicting a structure for new material is somewhat like to synthesis a new material. However it is not an easy task to predict a new structure. For this purpose a certain level of expertise and computational resources are required.
My key interest is to predict new structures for two dimensional materials with the help of various tools and computational resources. After analyzing mechanical and thermodynamic stabilities a comprehensive study is to be performed to explore various properties such as electronic, optical and magnetic properties for various device applications. Calculation of formation energies displays a possibility of practical synthesization of the material and the viability of synthesizing technique such as mechanical exfoliation, CVD etc.
Aims and Scope:
Monolayer structures of group III-V Binary compounds
Two dimensional materials as highly sensitive molecule sensors for various hazardous gases
New structures for Carbon
Graphene-like materials modeling
Electronic, optical and structural properties of two dimensional materials
First-Principles calculations for prediction of structures of materials and its properties