Recent Work:

1. Role of surface termination in realizing well-isolated topological surface states within the bulk band gap in TlBiSe2 and TlBiTe2 , Bahadur Singh, Hsin Lin, R. Prasad, and A. Bansil Phys. Rev. B 93, 085113(2016)
2. Structure of clusters of pentacene molecules and their polarizabilities, Divya, Abhinav Tankha, R. Prasad, Deepak, Journal of Physics and Chemistry of Solids 76,1847(2015).
3. Topological phase transition and quantum spin Hall state in TlBiS2, Bahadur Singh, Hsin Lin, R. Prasad and A. Bansil, JOURNAL OF APPLIED PHYSICS 116, 033704 (2014).
4. Itinerant and local-moment magnetism in EuCr2As2 single crystals, U. B. Paramanik, R. Prasad, C. Geibel, and Z. Hossain,PHYSICAL REVIEW B 89, 144423 (2014).
5. Optical anisotropy in bismuth titanate: An experimental and theoretical study, Amritendu Roy, Rajendra Prasad, Sushil Auluck and Ashish Garg, JOURNAL OF APPLIED PHYSICS 115, 133509 (2014).
6. Topological phase transition and two-dimensional topological insulators in Ge-based thin films, Bahadur Singh, Hsin Lin, R. Prasad and A. Bansil,PHYSICAL REVIEW B 88, 195147 (2013).
7. Room Temperature Nanoscale Ferroelectricity in Magnetoelectric GaFeO3 Epitaxial Thin Films, Somdutta Mukherjee, Amritendu Roy, Sushil Auluck, Rajendra Prasad, Rajeev Gupta, and Ashish Garg, PHYSICAL REVIEW LETTERS,111, 087601 (2013).
8. Engineering polarization rotation in ferroelectric bismuth titanate, Amritendu Roy, Rajendra Prasad, Sushil Auluck, and Ashish Garg, Appl. Phys. Lett. 102, 182901 (2013).
9. Reentrant superconductivity in Eu(Fe1-xIrx)2As2, U B Paramanik, Debarchan Das, R Prasad and Z Hossain,J. Phys.: Condens. Matter 25, 265701(2013).
10. Topological electronic structure and Weyl semimetal in the TlBiSe2 class of semiconductors, Bahadur Singh, Ashutosh Sharma, H. Lin, M.Z. Hasan, R. Prasad and A. Bansil, Phys. Rev. B 86, 115208 (2012)
11. Effects of site disorder, off-stoichiometry and epitaxial strain on the optical properties of magnetoelectric gallium ferrite, Amritendu Roy, Somdutta Mukherjee, Surajit Sarkar, Sushil Auluck, Rajendra Prasad, Rajeev Gupta, and Ashish Garg, J. Phys.: Condens. Matter 24, 435501 (2012)
12. Effect of site-disorder on magnetism and magneto-structural coupling in gallium ferrite: A first-principles study, Amritendu Roy, Rajendra Prasad, Sushil Auluck, and Ashish Garg,J. Appl. Phys. 111, 043915 (2012).
13. Evolution of ferromagnetic and spin-wave resonances with crystalline order in thin films of full-Heusler alloy Co2MnSi, Himanshu Pandey, P. C. Joshi, R. P. Pant, R. Prasad, S. Auluck and R. C. Budhani,J. Appl. Phys. 111, 023912 (2012).
14. Photo-absorption spectra of small hydrogenated silicon clusters using the time-dependent desnsity funcrional theory, J. Thingna, R. Prasad and S. Auluck, J.Phys. Chem. Solids 72, 1096(2011).
15. Normal state and superconducting properties of Rh17S15 and Pd17Se15, H. R. Naren, Arumugam Thamizhavel, Sushil Auluck, Rajendra Prasad and S Ramakrishnan, Supercond. Sci. Technol. 24 105015(2011).
16. Electronic structure, Born effective charges and spontaneous polarization in magnetoelectric gallium ferrite Amritendu Roy, Somdutta Mukherjee, Rajeev Gupta, Sushil Auluck, Rajendra Prasad and Ashish Garg J. Phys. Condens. Matter 23,325902(2011).
17. First-principles calculations of Born effective charges and spontaneoes polarization of ferroelectric bismuth titanate, Amritendu Roy, R. Prasad, S. Auluck and A. Garg, J. Phys. Condens. Matter 22,165902(2010).
18. Quantum well states in Fe/Nb(001) multilayers: First principles study, N. N. Shukla, A. Sen and R Prasad, Phys. Rev. B 76, 174417 (2007).
19. Charge induced effects on structures and properties of silane and disilane derivatives, D Balamurugan and R Prasad, Phys. Rev. B 73,235415 (2006).
20. Dopant induced stabilization of rhombohedral LiMnO₂ against Jahn-Teller distortion, R. Prasad, R. Benedek, M. M. Thackeray, Phys. Rev. B71, 134111 (2005).
21. Sample dependance of structural, vibrational and electronic properties of a-Si:H : A density functional based tight-binding study, R. Singh, S. Prakash, N. N. Shukla, R. Prasad, Phys. Rev B 70, 115213 (2004).
22. Energy functional dependence of exchange coupling and magnetic properties of Fe/Nb multilayers, N. N. Shukla and R. Prasad, Phys. Rev. B 70, 014420 (2004).
23. Symmetry breaking and structural distortion in charged XH₄ (X =C,Si,Ge,Pb) molecules, D Balamurugan, M. K. Harbola and R Prasad, Phys. Rev. A69, 033201(2004).