Publications in journals:

  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. Valence fluctuation in CeMo2Si2C, U.B. Paramanik, Anupam, U. Burkhardt, R. Prasad, C. Geibel, Z. Hossain, Journal of Alloys and Compounds, 580, 435 (2013).
  11. 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).
  12. 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).
  13. 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).
  14. 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).
  15. 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).
  16. 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).
  17. 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).
  18. 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).
  19. A study of electronic and optical properties of NaBi(WO4)2: A disordered double tungtate crystal, M. Tyagi, S. G. Singh, Sangeeta, R. Prasad, S. Auluck and D. J. Singh, Physica B 405, 3267(2010).
  20. Suppression of Jahn-Teller distortion by chromium and magnesium doping in spinel LiMn2O4: A first-principles study using GGA and GGA+U, Gurpreet Singh, S. L. Gupta, R. Prasad, S. Auluck, Rajeev Gupta, Anjan Sil, J. Phys. Chem. Solids, 70,1200(2009).
  21. Phase stabilty in ferroelectric bismuth titanate: A first principles study, A. Shrinagar,A. Garg, R Prasad and S. Auluck, Acta Crystallographica,A64,368 (2008).
  22. Phase stabilty of cation-doped LiMnO2 within GGA+U approximation, N. N. Shukla, S. Shukla,R Prasad and R. Benedek, Modeling Simul.Mater.Sci.Eng. 16,055008 (2008).
  23. 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).
  24. Charge induced effects on structures and properties of silane and disilane derivatives, D Balamurugan and R Prasad, Phys. Rev. B 73, 235415 (2006).
  25. Electronic Structure of LiMnO2: Comparative Study of the LSDA and LSDA+U methods, N. N. Shukla, R. Prasad, J. Phys. Chem. Solids 67,1731 (2006).
  26. Hydrogenated silicon clusters, R. Prasad, Proc. Indian Natn Sci Acad, 71,A, 371 (2005).
  27. Dopant induced stabilization of rhombohedral LiMnO2 against Jahn-Teller distortion, R. Prasad, R. Benedek, M. M. Thackeray, Phys. Rev. B71, 134111 (2005).
  28. Dielectric critical behaviour at a metal-insulator transition under lattice compression, S. Shukla, D. Kumar, N. N. Shukla, R. Prasad,J. Phys. Chem. Solids 66, 1150 (2005).
  29. Sample dependence 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. B70, 115213 (2004) .
  30. Energy functional dependence of exchange coupling and magnetic properties of Fe/Nb multilayers, N. N. Shukla and R. Prasad, Phys. Rev. B70, 014420 (2004).
  31. Peculiar insulator-to-metal transition in tetrahedral semiconductors on lattice expansion, S Shukla, D Kumar, N N Shukla and R Prasad, Int. J. Mod. Phys. B18, 975(2004).
  32. 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).
  33. Divalent dopant criterion for the suppresion of Jahn-Teller distortion in Mn oxides, R Prasad, R Benedek et.al, Phys.Rev.B 68, 012101, (2003).
  34. Effect of Co on the magnetism and phase stability of lithiated manganese oxides, R Prasad, R Benedek and M M Thackeray, Bull. Mater. Sc. 26, 147 (2003).
  35. Oscillatory interlayer magnetic coupling and induced magnetism in Fe/Nb multilayers, N N Shukla and R Prasad, Bull. Mater. Sc. 26, 143 (2003).
  36. Application of genetic algorithms to hydrogenated silicon clusters, N Chakraborty and R Prasad, Bull. Mater. Sc. 26, 127 (2003).
  37. Ground state structure and properties of Si3Hn (n=1-6) clusters, D Balamurugan and R Prasad, Bull. Mater. Sc. 26, 123 (2003).
  38. Ground state structures and properties of small hydrogenated silicon clusters, R Prasad, Bull. Mater. Sc. 26, 117 (2003).
  39. Genetic algorithm based structure calculations for hydrogenated silicon clusters, N Chakraborti, P S De and R Prasad, Materials Letters, 55, 20 (2002).
  40. First-principles Li insertion in InSb, R Benedek, J T Vaughey, M M Thackeray, L H Yang and R Prasad, J. Power Sources, 97-8, 201 (2001).
  41. Tight-binding calculations of Si-H clusters using genetic algorithms and related techniques: studies using differential evolution, N Chakraborti, K Misra, P Bhatt, N Barman and R Prasad, J. Phase Equilibria 22, 525 (2001).
  42. Effect of hydrogen on ground state structures of small hydrogenated silicon clusters, D Balamurugan and R Prasad, Phys. Rev. B64, 205406 (2001).
  43. A Study of Si-H System using Genetic Algorithm and a Tight Binding Approach, N Chakraborti, P S De and R Prasad, Z. Metalkd. 90, 508 (1999).
  44. Ground State Structures of Small Hydrogenated Clusters, R Prasad and N Chakraborti, Metals Materials and Processes, 10, 203 (1998).
  45. Electronic Structure of Disordered Alloys, R Prasad, Metals Materials and Processes, 10, 193 (1998).
  46. Geometries and Vibrational Spectra of Small Hydrogenated Silicon Clusters, G R Gupte and R Prasad, Int. J. Mod. Phys. B12, 1737 (1998).
  47. Ground State Geometries and Vibrational Spectra of Small Hydrogenated Silicon Clusters using Non-orthogonal Tight Binding Molecular Dynamics, G R Gupte and R Prasad, Int. J. Mod. Phys. B12. 1607 (1998).
  48. Structural Properties of Amorphous Hydrogenated Silicon using ab initio Molecular Dynamics Simulations, G R Gupte, R Prasad, V Kumar and G L Chiarotti, Bull. Mater. Sci. 20, 429 (1997).
  49. Electronic Structure, Magnetic and Structural Properties of Fe-Cu and Fe-Ag Alloys, S S A Razee, R Prasad and R M Singru, J Phys: Condens. Matter, 9, 4455 (1997).
  50. Staebler-Wronski Effect in Hydrogenated Amorphous Silicon, R Prasad and S Shenoy, Physics Letters A218, 85 (1996).
  51. Electronic structure of disordered Nb-Mo alloys using charge-selfconsistent KKR-CPA method, S S Rajput, R Prasad, R M Singru, S Kaprzyk and A Bansil, J. Phys: Condens. Matter 8, 2929 (1996).
  52. KKR-CPA calculation of density of states and soft X-ray emission from disordered Li-Mg alloys, S S Rajput, R M Singru and R Prasad, Solid State Commun. 90, 339 (1994).
  53. Generalized Augmented Space Theorem and Cluster Coherent Potential Approximation, A Mookerjee and R Prasad, Phys. Rev. B48, 17724 (1993).
  54. Cluster Coherent-potential Approximation in the Tight-binding Linear-muffin-tin-orbital formalism, S S A Razee and R Prasad, Phys. Rev. B48, 1361 (1993).
  55. Disordered Alloys with Short-range Order: Korringa-Kohn-Rostoker Formulation within Cluster Coherent-Potential Approximation, S S A Razee and R Prasad, Phys. Rev. B48, 1349 (1993).
  56. A study of the Fermi surfaces of lithium and disordered lithium-magnesium alloys: theory and experiment, S S Rajput, R Prasad, R M Singru, A Eckert, G Kogel, W Triftshauser, S Kaprzyk and A Bansil, J. Phys.: Condens. Matter 5, 6419 (1993).
  57. Shockley-type surface states in Cu-based alloys with noble and transition metals, A Y Serageldin, R Prasad and A Bansil, Modern Phys. Letters 5, 6419 (1993).
  58. Configuration averaged Green's function within Korringa-Kohn-Rostoker coherent-potential approximation, S S A Razee and R Prasad, Phys. Rev. B45, 3265 (1992).
  59. Shockley-type surface states on low-index faces of Cu-based alloys with polyvalent solutes, R Prasad, A Y Serageldin and A Bansil, J. Phys: Condens. Matter 3, 801 (1991).
  60. On the analyticity of the cluster coherent potential approximation, S S A Razee, A Mookerjee and R Prasad, J. Phys: Condens. Matter 3, 3301 (1991).
  61. Electronic structure of Disordered alloys, R Prasad, Indian Journal of Pure & Applied Physics 29, 255 (1991).
  62. Electronic structure of Disordered alloys: Korringa-Kohn-Rostoker cluster coherent potential approximation, S S A Razee, S S Rajput, R Prasad and A Mookerjee, Phys. Rev. B 42, 9391 (1990).
  63. Application of Korringa-Kohn-Rostoker cluster coherent potential approximation to s-phase shift semicircular model, S S Rajput, S S A Razee, R Prasad and A Mookerjee, J. Phys.:Condens. Matter 2, 2653 (1990).
  64. Momentum density and Fermi surface of YBa2Cu3O7, R Prasad and S Srinivas, Physica C, 162-164, 1235 (1989).
  65. Positron-annihilation 2D-ACPAR studies of Disordered and Defected Alloys, A Bansil, R Prasad, L C Smedskaer, R Benedek and P E Mijnarends, Material Science Forum 37, 49 (1989).
  66. Positron Annihilation in Vacancies: KKR-CPA Formulation and Application to Cu, R Prasad, R Benedek, J E Robinson and A Bansil, Phys. Rev. B40, 8620 (1989).
  67. Fermi Surface, Ground State Electronic Structure and Positron Experiments in YBa2Cu3O7, A Bansil, R Pankaluto, R S Rao, P E Mijnarends, R Prasad and L C Smedskjaer, Phys. Rev. Lett. 61, 2480 (1988).
  68. Analytical Models for Positron Annihilation at a Vacancy in Metals, J E Robinson, R Benedek and R Prasad, Phys. Rev. B35, 7392 (1987).
  69. Compton Profiles for Polycrystalline CuNi Alloys: Theory and Experiment, R Benedek, R Prasad, S Manninen, B K Sharma, A Bansil and P E Mijnarends, Phys. Rev. B32, 7650 (1985).
  70. An angle-Resolved Photoemission study of Cu96Ge4 and Cu89Ge11 Single Crystals, A Bansil, R S Rao, R Prasad, H Asonen and M Pessa, J. Phys. F14, 273 (1984).
  71. Electronic states in early-late transition metal glasses: Application to Cu-Zr, D Nicholson, L Huisman, L Schwartz, A Bansil and R Prasad, Solid State Commun. 46, 891 (1983).
  72. Composition dependence of optical gaps in the Cu-based Hume-Rothery alloys, R S Rao, R Prasad and A Bansil, Phys. Rev. B28, 5762 (1983).
  73. Non-linear composition dependence of the Fermi surface dimensions in alpha-phase copper-germanium alloys, R Prasad and A Bansil, Phys. Rev. Lett. 48, 113(1982).
  74. Angle-resolved photoemission study of (100), (110) and (111) surfaces of Cu0.9Al0.1: Bulk and surface electronic structure of alloy, H Asonen, M Lindroos, M Pessa, R Prasad, R S Rao, A Bansil, Phys. Rev. B25, 7075 (1982).
  75. Surface electronic states in alloys: Copper-Aluminium, M Pessa, H Asonen,R S Rao, R Prasad and A Bansil, Surf. Sc. 117, 371 (1982).
  76. Observation of Tamm-type state on Cu90Al10(100) surface: Disorder effects and bulk electronic structure of alloy, M Pessa, H Asonen, R S Rao, R Prasad and A Bansil, Phys. Rev. Lett. 47, 1223 (1981).
  77. Fermi surface properties of disordered a-phase alloys of copper with zinc, R Prasad, S C Papadopoulos and A Bansi, Phys. Rev. B23 2607 (1981).
  78. Special directions for Brillouin-zone integration: Application to density of states calculations, R Prasad and A Bansil, Phys. Rev. B21, 496 (1980).
  79. Electronic states and Fermi surface properties of a-phase PdHx, A Bansil, R Prasad, S Bessendorf, L Schwartz, W J Venema, R Feenstra, F Blom and R Griessen, Solid State Commun. 32, 1115 (1979).
  80. Fermi surface and band structure of ferromagnetic nickel, R Prasad, S K Joshi and S Auluck, Phys. Rev. B15, 1765 (1977).
  81. Wave-vector dependent susceptibility and dielectric function for paramagnetic nickel, R Prasad, S Auluck and S K Joshi, J. Phys. F6, 889 (1976).
  82. Wave-vector dependent susceptibility and dielectric function for copper, R Prasad, S Auluck and S K Joshi, J. Phys. F5, 1385 (1975).
  83. Giant Kohn anomaly in a quasi-one dimensional conductor, R Prasad, S Auluck and S K Joshi, J. Phys. C8, L139 (1975).

    84. Books:

  84. Electronic Structure of Materials by Rajendra Prasad, Text book for advanced undergraduate and graduate students, CRC Press, Taylor and Francis Group (2013). (http://www.crcpress.com/product/isbn/9781466504684)

    Popular Articles:

  85. Designer and Exotic Materials, R. Prasad, Directions, Vol. 8 No. 2, 80 (2007). [PDF]
  86. Atomic and Molecular Clusters, R. Prasad, Directions, Vol. 7 No. 1, 53, (2005). [PDF]

    Conference proceedings:

  87. Proceedings of the International Workshop on The Physics of Mesoscopic and Disordered Materials 4-8 Dec 2006, Editors, R. Prasad and S A. Ramakrishna, Pramana 70, Vol2 (2008).
  88. Density functional study on CeMo2Si2C, U. B. Paramanik, Anupam, C. Geibel, Z. Hossain, and R. Prasad AIP Conf. Proc. 1512, pp. 840-841(2012).
  89. A First-Principles Study of Structure-Property Correlation and the Origin of Ferrimagnetism in Gallium Ferrite, Amritendu Roy, Ashish Garg, Rajendra Prasad, S. Auluck, Advances in Materials Physics and Chemistry 2, 1 (2012)
  90. Multiferroic SrTiO3/ BiFeO3 Superlattice: A First-principles Study, A. Roy, A. Garg, R. Prasad and S. Auluck, Nanotech 2011 2:112-115 (2011).
  91. Small hydrogenated silicon clusters by R. Prasad in Disordered Materials, Eds. S. Prakash, N. Goyal and K. Tripathi (Narosa Publishing House, New Delhi, 2003).
  92. Ground state structures and properties of Si2Hn clusters, D Balamurugan and R Prasad in in Disordered Materials, Eds. S. Prakash, N. Goyal and K. Tripathi (Narosa Publishing House, New Delhi, 2003).
  93. Oscillating exchange coupling in Fe/Nb multilayers, by N. N. Shukla and R Prasad, in Disordered Materials, Eds. S. Prakash, N. Goyal and K. Tripathi (Narosa Publishing House, New Delhi, 2003).
  94. Electronic structures of disordered alloys using the KKR method, R Prasad in Electronic structure of alloys,surfaces at clusters, Eds A Mookerjee and D D Sarma (Taylor & Francis,London,2002).
  95. Ground state structure and properties of Si2Hn clusters, D Balamurugan and R Prasad in Advances in Materials and Materials Processing, Eds. N Chakraborty and U Chatterjee (Tata McGraw Hill, New Delhi, 2002), p. 609.
  96. Exchange coupling and induced magnetic moments in Fe/Nb multilayers, N N Shukla and R Prasad, in Advances in Materials and Materials Processing, Eds. N Chakraborty and U Chatterjee (Tata McGraw Hill, New Delhi, 2002), p. 780.
  97. Ground state structures of small hydrogenated silicon clusters, R Prasad, in Advances in Materials and Materials Processing, Eds. N Chakraborty and U Chatterjee (Tata McGraw Hill, New Delhi, 2002), p. 741.
  98. First Principles Calculations for Lithiated Mangnese Oxides, R Prasad, R Benedek, M M Thackeray, J M Wills and L H Yang, MRS Symp. Proc. 548, 137 (1999).
  99. Electronic Structure of Disordered Alloys, R Prasad in Electron Correlations in Atoms and Solids, Eds. A N Tripathi and I Singh (Phoenix, New Delhi 1998) p. 199.
  100. Electronic Structure of Disordered Alloys, R Prasad in Frontiers in Materials Modelling and Solids, Eds. V Kumar, S Sengupta, B Raj (Springer-Verlag, Berlin, 1998) p. 65.
  101. Fermi Surface Study of Nb, Mo and Disordered Nb-Mo Alloys, S S Rajput, R Prasad, R M Singru, S Kapzryk and A Bansil, in Positron Annihilation eds. Yuan-Jin He and Bi-Song Cao (Transtech Publications, Aedermannsdorf, Switzerland, 1995) p. 175.
  102. KKR Approach to Random Alloys, R Prasad, in Methods of Electronic Structure Calculations eds. O K Andersen, V Kumar and A Mookerjee (World Scientific, Singapore, 1994) p. 211.
  103. Electronic Structure of Disordered Alloys, R Prasad in the Proceedings of the International Advanced School in Statistical Physics eds K N Pathak and S Prakash (Wiley Eastern, 1990) p 215.
  104. Electronic structure, Momentum Density, and Positron Experiments in YBa2Cu3O7. A Bansil, R Pankaluto, R S Rao, P E Mijnarends, R Prasad and L C Smedskjaer in Positron Annihilation, eds L Dorikens-Vanpraet, M Dorikins and D Segers (World-Scientific, 1988).
  105. Annihilation Momentum Density of Positron Trapped at Vacancy-type defects in Metals and Alloy, A Bansil, R Prasad and R Benedek, in Alloy Phase Stability, eds A Gonis and G M Stocks (Kluwer, 1987) p. 607.
  106. Momentum density in Disordered Alloys, R Prasad, in Electronic Band Structure and its Applications, Lecture Notes in Physics Vol 283 (Springer-Verlag, Heidelberg, 1987), p 299.
  107. Theory of Positron Annihilation in vacancies in concentrated Disordered Alloys, R Prasad, R Benedek and A Bansil in Positron Annihilation eds. P C Jain, R M Singru and K P Gopinathan (World-Scientific, 1986) p 859.
  108. Electronic structure of non-stochiometric transition metal hydrides, A Bansil, R Prasad and L Schwartz in Electronic structure and properties of hydrogen in metals, Eds P Jena and C B Satterthwaite (Plenum Press, New York, 1982) p 249.
  109. Angulary resolved photoemission studies of surface and bulk states in alloys: Examples of Cu-Al, H Asonen, M Lindroos, M Pessa, R Prasad, R S Rao and A Bansil, in "Excitations in disordered systems", edited by M F Thorpe (Plenum Press, New York, 1981) p 253.
  110. Electronic structure of alpha-phase copper based Hume-Rothery alloys: A modern viewpoint,R Prasad,R S Rao and A Bansil, in "Excitations in disordered systems", ed. M F Thorpe(Plenum,New York,1981)p 241.
  111. Effect of self-consistency on the Fermi surface properties of disordered Cu-rich CuxNi1-x and a-CuxZn1-x alloys, A Bansil and R Prasad in Positron Annihilation, eds R A Hasiguti and K Fujiwara (Japan Institute of Metals, Sendai, Japan, 1979) p 661.
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