Sankar P. Sanyal

Barkatullah University

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Mahendra Aynyas

Govt. Dental College & Hospital

Gitanjali Pagare

Autonomous Healthcare

Prafulla K. Jha

Maharaja Sayajirao University of Baroda

Vipul Srivastava

Banaras Hindu University

Sunil Chouhan

All India Institute of Medical Sciences Bhopal

Nikita Acharya

Massachusetts General Hospital

Bushra Fatima

Jamia Millia Islamia

M. Rajagopalan

Central Marine Fisheries Research Institute

Chandrabhan Makode

Barkatullah University

Deepika Shrivastava

Maulana Azad National Institute of Technology

Cooperative Institutions

Barkatullah University

Bhabha Atomic Research Centre

Homi Bhabha National Institute

UGC DAE Consortium for Scientific Research

Devi Ahilya Vishwavidyalaya

Indira Gandhi Centre for Atomic Research

Dr. Hari Singh Gour University

Indian Institute of Technology Bombay

Maulana Azad National Institute of Technology

Solid State Physics Laboratory

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Density functional study of XRh (X=Sc, Y, Ti and Zr) intermetallic compounds

Computational Materials Science (2014)

Bushra Fatima Sunil Chouhan Nikita Acharya Sankar P. Sanyal

Lattice constant

Shear modulus

Poisson's ratio

Ductility (Earth science)

10.1016/j.commatsci.2014.03.008

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Citations (17)

Structural Stability and Electronic Properties of MoP

AIP conference proceedings (2011)

Premlata Pandit Sankar P. Sanyal Alka B. Garg R. Mittal R. Mukhopadhyay

The structural and electronic properties of MoP has been investigated in WC‐, NaCl‐, and zinc‐blende (ZB)‐type structures, in non‐magnetic phase, using density functional theory with a plane wave basis set. The generalized gradient approximation (GGA) has been used for exchange correlation. From the total energy calculation it is observed that MoP is stable in WC‐type structure. The calculated equilibrium lattice parameter, bulk modulus, first order pressure derivative of bulk modulus are in good agreement with available data. The band structure and density of states are presented in WC‐type structure and it is found that MoP shows metallic nature.

Structural Stability

Lattice constant

10.1063/1.3606127

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Citations (3)

First Principles Study of Structural and Electronic Properties of ErX (X=Cu, Ag and Au) Intermetallics

Advanced materials research (2016)

Mani Shugani Mahendra Aynyas Harsha Pawar Sankar P. Sanyal

The electronic structures, densities of states and Fermi surfaces of ErX (X = Cu, Ag and Au) intermetallic compounds are studied using full potential linear augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA) for the exchange-correlation functional. The total energies are computed as a function of volume and fitted to the Birch equation of state. The ground state properties such as equilibrium lattice constants (a 0 ), bulk modulus (B) and pressure derivative of bulk modulus (B') and density of states at the Fermi level N (E F ) are calculated. The states at the Fermi level (E F ) are dominated by Er ‘ d ’ states with significant contribution of ‘ p ’ and ‘ d ’ states of X. We have also plotted charge density and Fermi surface to study the bonding properties of ErX compounds.

Lattice constant

Density of states

Charge density

10.4028/www.scientific.net/amr.1141.77

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Current Trends in Advanced Compound Materials

Trans Tech Publications Ltd. eBooks (2016)

B. S. Arya Prafulla K. Jha Sankar P. Sanyal

10.4028/b-8azuvy

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Electronic and thermal properties of B2-type AlRE intermetallic compounds: A first principles study

Physica B Condensed Matter (2010)

Gitanjali Pagare Vipul Srivastava Sankar P. Sanyal M. Rajagopalan

Debye model

Lattice constant

Density of states

Tight binding

Debye

10.1016/j.physb.2010.11.010

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Citations (11)

Electronic and magnetic properties of RECu[sub 3]Al[sub 2] (RE = Sm, Gd and Tb)

AIP conference proceedings (2013)

Gitanjali Pagare Sunil Chouhan Sankar P. Sanyal

We present the electronic and magnetic properties of RECu3Al2 (RE = Sm, Gd and Tb) intermetallic compounds using the first principles density functional theory (DFT) within both generalized gradient approximation (GGA) and local spin density approximation (LSDA). The variation in the metallic and magnetic properties in these compounds is due to 'f' states of RE elements. To the best of our knowledge, this is the first quantitative theoretical prediction of the structural parameter like lattice constant (a0 and c0), bulk modulus (B) and pressure derivative of bulk modulus (B′), specific heat (γ) and total magnetic moment for these intermetallic compounds.

Lattice constant

10.1063/1.4810352

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Citations (0)

Structural and elastic properties of rare-earth nitrides at high pressure

Indian Journal of Pure & Applied Physics (2009)

Aditi Rukmangad Mahendra Aynyas Sankar P. Sanyal

Ambient pressure

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Citations (21)

Study of conduction behavior in co-doped Nd0.67Sr0.33Mn0.90Co0.10O3 manganite

AIP conference proceedings (2019)

Abhinav Bhargav Sankar P. Sanyal

We have studied the structural and conduction mechanism of Nd0.67Sr0.33Mn0.90Co0.10O3 manganite prepared through conventional solid state reaction route. The synthesized sample is single phase in nature and crystallizes in orthorhombic perovskite structure with Pbnm space group which is confirmed with the study of X-ray diffraction data through Rietvield refinement. The resistivity versus temperature measurement for sample Nd0.67Sr0.33Mn0.90Co0.10O3 was performed in the range 0-300K and at 0T field. The conduction mechanism of the sample is analyzed and explained by different theoretical models, for temperatures below and above TP.

Manganite

Orthorhombic crystal system

Atmospheric temperature range

10.1063/1.5098580

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Citations (1)

Vibrational spectroscopy and phonon dispersion of GaSb

Indian Journal of Pure & Applied Physics (2008)

Bipul Rakshit Vipul Srivastava Sankar P. Sanyal Prafulla K. Jha T. R. Ravindran

Formalism (music)

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Electronic structure and superconducting properties of TcTi and TcV intermetallic compounds

AIP conference proceedings (2018)

Nikita Acharya Deepika Shrivastava Sankar P. Sanyal

The electronic structure, lattice dynamic and superconducting properties of TcTi and TcV intermetallic compounds are calculated using the pseudo-potential plane-wave based on density functional theory. The calculated electronic properties reveal that these compounds are metallic in nature. The phonon frequencies are positive throughout the Brillouin zone revealing the stability in B2 phase. Thereafter Eliashberg spectral function (α2F(ω)), electron-phonon coupling constant (λ) and superconducting transition temperature (Tc) of TcTi and TcV are discussed in detail. The calculated values of Tc are 1.58K for TcTi and 1.47K for TcV. The phonon dispersion curves and superconducting properties are calculated first time for both the technetium compounds.

Brillouin zone

Lattice constant

Superconducting transition temperature

FETI

10.1063/1.5028917

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Citations (2)