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SOLID STATE PHYSICS

Proceedings of the 56th DAE Solid State Physics Symposium 2011

SRM University, Kaffonkulathur, Tamilnadu, India 19-23 December 2011

PART TWO

EDITORS

R. Mittal

A. K. Chauhan

R. Mukhopadhyay

Bhabha Atomic Research Centre, Mumbai, India

All papers have been peer reviewed.

SPONSORING ORGANIZATIONS

Board of Research in Nuclear Sciences

Department of Atomic Energy, Government of India

AIP American institute

Melville, New York, 2012 of Physics AIP I CONFERENCE PROCEEDINGS 1447

PART TWO

ELECTRONIC STRUCTURE AND PHONONS

Radiation induced changes in electronic and dielectric properties of polyoxymethylene H. R. Sreepad, H. R. Ravi, Khaleel Ahmed, and Umesh V. Waghmare 793

xxxi

First-principles study of structure and properties of the cyclic pentamer of formaldehyde H. R. Sreepad, H. R. Ravi, K.P. S.S. Hembram, and Umesh V. Waghmare 795

Determination of energy bands in solids using unitary representation of Su(l,l) lie algebra Subha Gaurab Roy, Nirmal Kumar Sarkar, and Ramendu Bhattacharjee 797

Structural electronic and phonon properties of some transition metal aluminides Bushra Fatima, Premlata Pandit, and Sankar P. Sanyal 799

Phonon dynamics of neptunium chalcogenides Mahcndra Aynyas, Aditi Rukmangad, Balwant S. Arya, and Sankar P. Sanyal 801

On dynamic and elastic stability of group IIIB metal carbides: Ab-initio calculations B. D. Sahoo, D. Mukherjee, K. D. Joshi, and Satish C. Gupta 803

Ab-initio study of co-doped zigzag graphene nanoribbons

Necraj K. Jaiswal and Pankaj Srivastava 805

Electronic structure of a superconducting boride, ZrBI2

Sangeeta Thakur, Deep Narayan Biswas, Nishaina Sahadev, Geetha Balakrishnan, and Kalobaran Maiti 807

Theoretical study of electronic and elastic properties of Li(Mg, Zn)N alloy M. Rajagopalan, S. Ramasubramanian, and J. Kumar 809

Electronic structure of HoB4: A photoelectron spectroscopic study Kalobaran Maiti, Deep Narayan Biswas, Nishaina Sahadev, Ganesh Adhikary, and Geetha

Balakrishnan 811

Anharmonicity of Raman modes of Bi12SiO20 Nilesh P. Salke and Rekha Rao 813

Influence ofA- site doping on structural properties of Bi0.95Pro.o5Fe03 multiferroics Dinesh Varshncy, Poorva Sharma, and Ashwini Kumar 815

Inelastic neutron scattering measurements and lattice dynamics of ZnS|.xSex Tista Basak, Mala N. Rao, A. K. Rajarajan, and S. L. Chaplot 817

Electronic structure of Ni2MnSn: Experiment and theory M. Maniraj, S. W. D'Souza, S. Majumdar, A. Chakrabarti, and S. R. Barman 819

Structural properties of intermetallic Li-Be compound K. L. Galav, U. Paliwal, and K. B. Joshi 821

Synthesis and Raman spectroscopic studies of NaZr2(P04)3 K. Kamali, T. R. Ravindran, V. Sridharan, and R. Nithya 823

Effect of impurity on electron-phonon interaction in some alloyed heavy fermion (HF) systems S. Mohanty, J. Sahoo, and P. Nayak 825

xxxii

Effect of doping on phonon properties of UxLa|.xS compounds B. S. Arya, Ashok K. Ahirwar, Mahendra Aynyas, and Sankar P. Sanyal 827

The electronic, magnetic and thermal properties of actinide monocarbides: A first principles study

Pooja Soni, Gitanjali Pagare, M. Rajagopalan, and Sankar P. Sanyal 829

Electronic and optical properties of free standing Pt nanowires using localized basis sets Arun Kumar, Ashok Kumar, and P. K. Ahluwalia 831

Strong Nd4f hybridization effect in Ge doped Nd2PdSi3 Tathamay Basu, Sangeeta Thakur, Nishaina Sahadev, Deep Narayan Biswas, Ganesh Adhikary, K.

Mukherjee, E. V. Sampathkumaran, and Kalobaran Maiti 833

Density functional study of the spinel compound Mn304 and doped system Zno.5Mn2.5O4 Ramandeep, Tulika Maitra, and Tashi Nautiyal 835

Unoccupied electronic structure of graphite probed by ARPES S. K. Mahatha and Krishnakumar S. R. Menon 837

First principles calculation of phase diagrams of V-Nb, V-Ta and Nb-Ta alloys C. Ravi, B. K. Panigrahi, M. C. Valsakumar, and A. Van de Walle 839

High resolution electron energy loss spectroscopy - A case study of MgB2 Nishaina Sahadev, Deep Narayan Biswas, K. Srinivas, P. Manfrinetti, A. Palenzona, and Kalobaran Maiti 841

Electronic structure and ground state properties of A4|Cu404| (A=Li, Na, K and Rb): A first

principle study R. Umamaheswari, M. Yogeswari, and G. Kalpana 843

Lattice dynamics and elastic properties of MoP Premlata Pandit and Sankar P. Sanyal 845

Lattice dynamics of (ND4I),(KI)i_x mixed crystals Alpana Tiwari and N. K. Gaur 847

FP-LAPW + lo calculations for the structural, electronic, optical and mechanical properties of ZnX (X = S, Se and Te)

Sheetal Sharma, A. S. Verma, B. K. Sarkar, and V. K. Jindal 849

Gigantic density of states in 1.22nm nanocrystalline nickel

Sourav Das, R. Rawat, N. P. Lalla, and G. S. Okram 851

Nonlocal exchange correlation pressure corrected thermal properties of U02 within LDA+U

approach Puspamitra Panigrahi, Gurpreet Kaur, and M. C. Valsakumar 853

xxxiii

Raman and infrared study of Bi filled Co4Sb12 Krushna Kumari Raut, Ashoka Bali, and Ramesh Chandra Mallik 855

SUPERCONDUCTIVITY

High pressure phase transition and superconductivity in transition metal nitride HfN and ZrN:

An ab-initio study A. T. Asvini Meenaatci, S. Kanaga prabha, R. Rajeswara palanichamy, and K. lyakutti 859

Spectral weight below Tc at energies larger than the gap amplitude in hole-doped cuprates

Ajay Pratap Singh Gahlot and Partha Goswami 861

Pressure induced superconductivity in transition metal trihydrides: An ab-initio study S. Kanagaprabha, A. T. Asvini Meenaatci, R. Rajeswarapalanichamy, and K. lyakutti 863

Increase of effective exchange energy due to phonon mediated interaction in the extended t-J

model

N. S. Mondal and N. K. Ghosh 865

Fabrication of DC sputtered NbN thick film with high upper critical field of above 400 kOe

Rajveer Jha, Anuj Kumar, and V. P. S. Awana 867

Control of interstitial Fe and its impact on superconductivity of FeTc^Se^

V. P. S. Awana, Anuj Kumar, and Anand Pal 869

Establishment of 37 channel SQUID system for magnetocardiography C. Parasakthi, Rajesh Patel, S. Sengottuvel, N. Mariyappa, K. Gireesan, M. P. Janawadkar, and T.

S. Radhakrishnan 871

High field transport and magnetic properties of RECo(P/As)0 Anand Pal, S. S. Mehdi, Mushahid Husain, and V. P.S. Awana 873

Superconductivity and ferromagnetism in the non-oxide perovskite MgCNi3

Anuj Kumar, Rajveer Jha, R. P. Tandon, and V. P. S. Awana 875

Magnetization and NMR studies in SmFeAsO0.86F0 U Amitabha Ghoshray, Mayukh Majumder, Asok Poddar, Chandan Mazumdar, Kajal Ghoshray, and

David Bcrardan 877

Study of single crystal CuxBi2Se3 topological superconductor Bhanu Joshi, A. Thamizhavel, and S. Ramakrishnan 879

Structural and magnetic properties of iron based superconductor Fe0.99Se0.sTeo.5 T. Satya Krishna and A. K. Bhatnagar 881

Centre seeded infiltration and growth process for fabrication of large grain bulk YBCO/Ag

superconducting composites R. Parthasarathy and V. Scshubai 883

xxxiv

Evidence of 3D fluctuations in magnetization of BaFei 25Ruo.75As2 single crystal Shilpam Sharma, K. Vinod, C. S. Sundar, and A. Bharathi 885

Superconductivity in Cu0.o8TiSe2 D. Venkateshwarlu, S. Shanmukharao Samatham, Mohan Gangrade, and V. Ganesan 887

Phase diagram of Ru doped BaFe2As2 K. Vinod, Shilpam Sharma, A. T. Satya, C. S. Sundar, and A. Bharathi 889

Improving noise performance of the SQUID in presence of high resistive signal leads N. Mariyappa, C. Parasakthi, S. Sengottuvel, Rajesh Patel, K. Girecsan, T. S. Radhakrishnan, M. P. Janawadkar, and C. S. Sundar 891

Ab initio study of magnetism in FeSe and FeTe

Jagdish Kumar, P. K. Ahluwalia, S. Auluck, and V. P. S Awana 893

Effect of Ni, Fe intercalation on the superconducting properties of ZrTe3 C. S. Yadav and P. L. Paulose 895

Pinning mechanism in iron chalcogenide superconductor FeSe0.5Te0.s Ajay D. Thakur, Anil K. Yadav, P. Das, C. V. Tomy, M. R. Lees, G. Balakrishnan, S. Ramakrishnan, and A. K. Grover 897

Counter magnetization of SmCo5 permanent magnet by YBCO/Ag composite bulk superconductor — A competing interaction picture

R. Parthasarathy, M. M. Lakshmi, and V. Seshubai 899

Dirac cone states in Ru doped BaFe2As2 as observed by magneto resistance measurements A. T. Satya, K. Vinod, Shilpam Sharma, C. S. Sundar, and A. Bharathi 901

Surface superconductivity, metastability effects and paramagnetic magnetization in niobium sphere

Ulhas Vaidya, P. D. Kulkarni, H. Takeya, S. Ramakrishnan, and A. K. Grover 903

Study of upper critical field in 1111-ferropnictide superconductors S. J. Singh, J. Prakash, V. K. Maurya, A. K. Ganguli, and S. Patnaik 905

Role of excess Cr at Fe site in FeCrxSe and FeCr,Se0.sTeo.s Anil K. Yadav, Ajay D. Thakur, and C. V. Tomy 907

Multi-quanta vortex states, crossover to Abrikosov's lattice and peak effect phenomenon in Ca3Ir4Sn13

Santosh Kumar, Ajay D. Thakur, Ravi Singh, A. Thamizhavel, C. V. Tomy, and A. K. Grover 909

Study of superconducting properties in melt textured YBCO samples M. R. Gonal, K. G. Bhushan, S. Ramanathan, R. C. Hubli, A. K. Tyagi, and G. P. Kothiyal 911

xxxv

TRANSPORT PROPERTIES

Atomic transport properties of 3d liquid transition metals

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