Publications in journals:

Role of surface termination in realizing wellisolated 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)

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).

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).

Itinerant and localmoment magnetism in EuCr2As2 single crystals,
U. B. Paramanik, R. Prasad, C. Geibel, and Z. Hossain,PHYSICAL REVIEW B 89, 144423 (2014).

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).

Topological phase transition and twodimensional topological insulators in Gebased thin films,
Bahadur Singh, Hsin Lin, R. Prasad and A. Bansil,PHYSICAL REVIEW B 88, 195147 (2013).

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).

Engineering polarization rotation in ferroelectric bismuth titanate,
Amritendu Roy, Rajendra Prasad, Sushil Auluck, and Ashish Garg, Appl. Phys. Lett. 102, 182901 (2013).

Reentrant superconductivity in
Eu(Fe1xIrx)2As2,
U B Paramanik, Debarchan Das, R Prasad and Z Hossain,J. Phys.: Condens. Matter 25, 265701(2013).

Valence fluctuation in CeMo2Si2C,
U.B. Paramanik,
Anupam,
U. Burkhardt,
R. Prasad,
C. Geibel,
Z. Hossain,
Journal of Alloys and Compounds, 580, 435 (2013).

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).

Effects of site disorder, offstoichiometry
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).

Effect of sitedisorder on magnetism and magnetostructural coupling in
gallium ferrite: A firstprinciples study,
Amritendu Roy, Rajendra Prasad, Sushil Auluck, and Ashish Garg,J. Appl. Phys. 111, 043915 (2012).

Evolution of ferromagnetic and spinwave resonances with crystalline order
in thin films of fullHeusler alloy Co2MnSi, Himanshu Pandey, P. C. Joshi, R. P. Pant, R. Prasad, S. Auluck and R. C. Budhani,J. Appl. Phys. 111, 023912 (2012).

Photoabsorption spectra of small hydrogenated silicon clusters using the
timedependent desnsity funcrional theory, J. Thingna, R. Prasad and S. Auluck,
J.Phys. Chem. Solids 72, 1096(2011).

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).

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).

Firstprinciples 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).

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).

Suppression of JahnTeller distortion by chromium and magnesium doping in
spinel LiMn2O4: A firstprinciples 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).

Phase stabilty in ferroelectric bismuth titanate: A first principles study,
A. Shrinagar,A. Garg, R Prasad and S. Auluck, Acta Crystallographica,A64,368 (2008).

Phase stabilty of cationdoped LiMnO2 within GGA+U approximation,
N. N. Shukla, S. Shukla,R Prasad and R. Benedek, Modeling Simul.Mater.Sci.Eng. 16,055008 (2008).

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).

Charge induced effects on structures and properties of silane and disilane
derivatives, D Balamurugan and R Prasad, Phys. Rev. B 73, 235415 (2006).

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).

Hydrogenated silicon clusters, R. Prasad, Proc. Indian Natn Sci Acad, 71,A,
371 (2005).

Dopant induced stabilization of rhombohedral LiMnO_{2} against JahnTeller
distortion, R. Prasad,
R. Benedek, M. M. Thackeray, Phys. Rev. B71, 134111 (2005).

Dielectric critical behaviour at a metalinsulator transition under lattice
compression, S. Shukla, D. Kumar, N. N. Shukla, R. Prasad,J. Phys. Chem. Solids
66, 1150 (2005).

Sample dependence of structural, vibrational and electronic properties of
aSi:H : A density functional based tightbinding study, R. Singh, S. Prakash,
N. N. Shukla, R. Prasad, Phys. Rev. B70, 115213 (2004) .

Energy functional dependence of exchange coupling and magnetic properties of
Fe/Nb multilayers, N. N. Shukla and R. Prasad, Phys. Rev. B70, 014420 (2004).

Peculiar insulatortometal transition in tetrahedral semiconductors on
lattice expansion, S Shukla, D Kumar, N N Shukla and R Prasad, Int. J. Mod.
Phys. B18, 975(2004).

Symmetry breaking and structural distortion in charged XH_{4} (X
=C,Si,Ge,Pb) molecules, D Balamurugan, M. K. Harbola and R Prasad, Phys. Rev. A69,
033201(2004).

Divalent dopant criterion for the suppresion of JahnTeller distortion
in Mn oxides, R Prasad, R Benedek et.al, Phys.Rev.B 68, 012101,
(2003).

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).

Oscillatory interlayer magnetic coupling and induced magnetism in Fe/Nb
multilayers, N N Shukla and R Prasad, Bull. Mater. Sc. 26, 143 (2003).

Application of genetic algorithms to hydrogenated silicon clusters, N Chakraborty
and R Prasad, Bull. Mater. Sc. 26, 127 (2003).

Ground state structure and properties of Si_{3}H_{n} (n=16)
clusters, D Balamurugan and R Prasad, Bull. Mater. Sc. 26, 123 (2003).

Ground state structures and properties of small hydrogenated silicon clusters,
R Prasad, Bull. Mater. Sc. 26, 117 (2003).

Genetic algorithm based structure calculations for hydrogenated silicon
clusters, N Chakraborti, P S De and R Prasad, Materials Letters, 55, 20
(2002).

Firstprinciples Li insertion in InSb, R Benedek, J T Vaughey, M M Thackeray,
L H Yang and R Prasad, J. Power Sources, 978, 201 (2001).

Tightbinding calculations of SiH 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).

Effect of hydrogen on ground state structures of small hydrogenated silicon
clusters, D Balamurugan and R Prasad, Phys. Rev. B64, 205406 (2001).

A Study of SiH System using Genetic Algorithm and a Tight Binding Approach,
N Chakraborti, P S De and R Prasad, Z. Metalkd. 90, 508 (1999).

Ground State Structures of Small Hydrogenated Clusters, R Prasad and N
Chakraborti, Metals Materials and Processes, 10, 203 (1998).

Electronic Structure of Disordered Alloys, R Prasad, Metals Materials and
Processes, 10, 193 (1998).

Geometries and Vibrational Spectra of Small Hydrogenated Silicon Clusters,
G R Gupte and R Prasad, Int. J. Mod. Phys. B12, 1737 (1998).

Ground State Geometries and Vibrational Spectra of Small Hydrogenated Silicon
Clusters using Nonorthogonal Tight Binding Molecular Dynamics, G R Gupte
and R Prasad, Int. J. Mod. Phys. B12. 1607 (1998).

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).

Electronic Structure, Magnetic and Structural Properties of FeCu and FeAg
Alloys, S S A Razee, R Prasad and R M Singru, J Phys: Condens. Matter,
9, 4455 (1997).

StaeblerWronski Effect in Hydrogenated Amorphous Silicon, R Prasad and
S Shenoy, Physics Letters A218, 85 (1996).

Electronic structure of disordered NbMo alloys using chargeselfconsistent
KKRCPA method, S S Rajput, R Prasad, R M Singru, S Kaprzyk and A Bansil,
J. Phys: Condens. Matter 8, 2929 (1996).

KKRCPA calculation of density of states and soft Xray emission from disordered
LiMg alloys, S S Rajput, R M Singru and R Prasad, Solid State Commun.
90, 339 (1994).

Generalized Augmented Space Theorem and Cluster Coherent Potential Approximation,
A Mookerjee and R Prasad, Phys. Rev. B48, 17724 (1993).

Cluster Coherentpotential Approximation in the Tightbinding Linearmuffintinorbital
formalism, S S A Razee and R Prasad, Phys. Rev. B48, 1361 (1993).

Disordered Alloys with Shortrange Order: KorringaKohnRostoker Formulation
within Cluster CoherentPotential Approximation, S S A Razee and R Prasad,
Phys. Rev. B48, 1349 (1993).

A study of the Fermi surfaces of lithium and disordered lithiummagnesium
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).

Shockleytype surface states in Cubased alloys with noble and transition
metals, A Y Serageldin, R Prasad and A Bansil, Modern Phys. Letters 5,
6419 (1993).

Configuration averaged Green's function within KorringaKohnRostoker coherentpotential
approximation, S S A Razee and R Prasad, Phys. Rev. B45, 3265 (1992).

Shockleytype surface states on lowindex faces of Cubased alloys with
polyvalent solutes, R Prasad, A Y Serageldin and A Bansil, J. Phys: Condens.
Matter 3, 801 (1991).

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).

Electronic structure of Disordered alloys, R Prasad, Indian Journal of
Pure & Applied Physics 29, 255 (1991).

Electronic structure of Disordered alloys: KorringaKohnRostoker cluster
coherent potential approximation, S S A Razee, S S Rajput, R Prasad and
A Mookerjee, Phys. Rev. B 42, 9391 (1990).

Application of KorringaKohnRostoker cluster coherent potential approximation
to sphase shift semicircular model, S S Rajput, S S A Razee, R Prasad
and A Mookerjee, J. Phys.:Condens. Matter 2, 2653 (1990).

Momentum density and Fermi surface of YBa_{2}Cu_{3}O_{7},
R Prasad and S Srinivas, Physica C, 162164, 1235 (1989).

Positronannihilation 2DACPAR 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).

Positron Annihilation in Vacancies: KKRCPA Formulation and Application
to Cu, R Prasad, R Benedek, J E Robinson and A Bansil, Phys. Rev. B40,
8620 (1989).

Fermi Surface, Ground State Electronic Structure and Positron Experiments
in YBa_{2}Cu_{3}O_{7}, A Bansil, R Pankaluto, R
S Rao, P E Mijnarends, R Prasad and L C Smedskjaer, Phys. Rev. Lett. 61,
2480 (1988).

Analytical Models for Positron Annihilation at a Vacancy in Metals, J E
Robinson, R Benedek and R Prasad, Phys. Rev. B35, 7392 (1987).

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).

An angleResolved Photoemission study of Cu_{96}Ge_{4}
and Cu_{89}Ge_{11} Single Crystals, A Bansil, R S Rao,
R Prasad, H Asonen and M Pessa, J. Phys. F14, 273 (1984).

Electronic states in earlylate transition metal glasses: Application to
CuZr, D Nicholson, L Huisman, L Schwartz, A Bansil and R Prasad, Solid
State Commun. 46, 891 (1983).

Composition dependence of optical gaps in the Cubased HumeRothery alloys,
R S Rao, R Prasad and A Bansil, Phys. Rev. B28, 5762 (1983).

Nonlinear composition dependence of the Fermi surface dimensions in alphaphase
coppergermanium alloys, R Prasad and A Bansil, Phys. Rev. Lett. 48,
113(1982).

Angleresolved photoemission study of (100), (110) and (111) surfaces of
Cu_{0.9}Al_{0.1}: 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).

Surface electronic states in alloys: CopperAluminium, M Pessa, H Asonen,R
S Rao, R Prasad and A Bansil, Surf. Sc. 117, 371 (1982).

Observation of Tammtype state on Cu_{90}Al_{10}(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).

Fermi surface properties of disordered aphase alloys of copper with zinc,
R Prasad, S C Papadopoulos and A Bansi, Phys. Rev. B23 2607 (1981).

Special directions for Brillouinzone integration: Application to density
of states calculations, R Prasad and A Bansil, Phys. Rev. B21, 496
(1980).

Electronic states and Fermi surface properties of aphase 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).

Fermi surface and band structure of ferromagnetic nickel, R Prasad, S K
Joshi and S Auluck, Phys. Rev. B15, 1765 (1977).

Wavevector dependent susceptibility and dielectric function for paramagnetic
nickel, R Prasad, S Auluck and S K Joshi, J. Phys. F6, 889 (1976).

Wavevector dependent susceptibility and dielectric function for copper,
R Prasad, S Auluck and S K Joshi, J. Phys. F5, 1385 (1975).

Giant Kohn anomaly in a quasione dimensional conductor, R Prasad, S Auluck
and S K Joshi, J. Phys. C8, L139 (1975).
Books:

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:

Designer and Exotic Materials, R. Prasad, Directions, Vol. 8 No. 2, 80 (2007).
[PDF]

Atomic and Molecular Clusters, R. Prasad, Directions, Vol. 7 No. 1, 53, (2005).
[PDF]
Conference proceedings:

Proceedings of the International Workshop on The Physics of Mesoscopic and
Disordered Materials 48 Dec 2006, Editors, R. Prasad and S A. Ramakrishna, Pramana 70, Vol2 (2008).

Density functional study on CeMo2Si2C, U. B. Paramanik, Anupam, C. Geibel, Z. Hossain, and R. Prasad
AIP Conf. Proc. 1512, pp. 840841(2012).

A FirstPrinciples Study of StructureProperty 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)

Multiferroic SrTiO3/ BiFeO3 Superlattice: A Firstprinciples Study, A. Roy, A. Garg, R. Prasad and S. Auluck,
Nanotech 2011 2:112115 (2011).

Small hydrogenated silicon clusters by R. Prasad
in Disordered Materials, Eds. S. Prakash,
N. Goyal and K. Tripathi (Narosa Publishing House, New Delhi, 2003).

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).

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).

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).

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.

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.

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.

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).

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.

Electronic Structure of Disordered Alloys, R Prasad in Frontiers in Materials
Modelling and Solids, Eds. V Kumar, S Sengupta, B Raj (SpringerVerlag,
Berlin, 1998) p. 65.

Fermi Surface Study of Nb, Mo and Disordered NbMo Alloys, S S Rajput,
R Prasad, R M Singru, S Kapzryk and A Bansil, in Positron Annihilation
eds. YuanJin He and BiSong Cao (Transtech Publications, Aedermannsdorf,
Switzerland, 1995) p. 175.

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.

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.

Electronic structure, Momentum Density, and Positron Experiments in YBa_{2}Cu_{3}O_{7}.
A Bansil, R Pankaluto, R S Rao, P E Mijnarends, R Prasad and L C Smedskjaer
in Positron Annihilation, eds L DorikensVanpraet, M Dorikins and D Segers
(WorldScientific, 1988).

Annihilation Momentum Density of Positron Trapped at Vacancytype 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.

Momentum density in Disordered Alloys, R Prasad, in Electronic Band Structure
and its Applications, Lecture Notes in Physics Vol 283 (SpringerVerlag,
Heidelberg, 1987), p 299.

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 (WorldScientific, 1986) p 859.

Electronic structure of nonstochiometric 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.

Angulary resolved photoemission studies of surface and bulk states in alloys:
Examples of CuAl, 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.

Electronic structure of alphaphase copper based HumeRothery 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.

Effect of selfconsistency on the Fermi surface properties of disordered
Curich Cu_{x}Ni_{1x} and aCu_{x}Zn_{1x}
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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