Faculty of Physics.
Education: PhD, Indira Gandhi Center for Atomic Research (IGCAR), Kalpakkam, India
I work in the area of computational condensed matter and my current area of research is to use ab-initio electronic structure calculations to model real physical behavior of materials for various applications. Presently I work on variety of applications including photovoltaic effect in perovskite based solar cells, phonon transport, solid oxide fuel cells, nanostructure evolution in structural materials, etc.
- Giant photovoltaic response in band engineered ferroelectric perovskite oxides, Subhajit Pal, Atal Bihari Awain, Pranab Parimal Biswas, D. Murali, B. Ranjit K Nanda, Pattukkannu Murugagel, Scientific Reports 8, 8005 (2018).
- Designing Nonpolar Metallic Interfaces using Insulating Transition Metal Olivine Phosphates, Ajit Kumar Jena, D. Murali, B.R.K. Nanda, Adv. Theory Simul. 1700007 (2018).
- High Temperature Stability of BaZrO3: An Ab initio Thermodynamic Study, N Raja, D Murali, M Posselt, SVM Satyanarayana, Phys. Status Solidi B, 1700398 (2017).
- Influence of phonon and electron excitations on the free energy of defectclusters in solids: A first-principles study, M. Posselt, D. Murali and M. Schiwarth, Computational Materials Science 127, 284 (2017).
- First-principles calculation of defect free energies: General aspects illustrated in the case of bcc-Fe, D. Murali, M. Posselt and M. Schiwarth, Physical Review B 92, 064103 (2015).
Awards and honours:
Qualified for CSIR-UGC NET (JRF) (2005).
Qualified for GATE (2005).
Best poster presentation in DAE – SSPS (2008).