Search Results - "Niranjan, Manish K."

Prediction of a switchable two-dimensional electron gas at ferroelectric oxide interfaces by Niranjan, Manish K, Wang, Yong, Jaswal, Sitaram S, Tsymbal, Evgeny Y

“…The demonstration of a quasi-two-dimensional electron gas (2DEG) in LaAlO3/SrTiO3 heterostructures has stimulated intense research activity in recent years…”
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Surface electronic structure, relaxations and thermodynamic energies of (100), (110) and (111) surfaces of Mg2Si: A first-principles theoretical study by Mamindla, Ramesh, Niranjan, Manish K.

“…•Electronic structure, relaxations and energetics of (100), (110) and (111) surfaces of Mg2Si are explored theoretically.•TB09 meta-GGA functional is used to…”
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Electric field effect on magnetization at the Fe/MgO(001) interface by Niranjan, Manish K., Duan, Chun-Gang, Jaswal, Sitaram S., Tsymbal, Evgeny Y.

“…Density-functional calculations are performed to explore magnetoelectric effects originating from the influence of an external electric field on magnetic…”
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Comprehensive investigation of microstructure, electrical and photocatalytic properties of K0.5Na0.5NbO3 lead- free ceramics prepared via different synthesis routes by Saha, Manish, Cho, Phyu Phyu, Subrahmanyam, Ch, Niranjan, Manish K., Asthana, Saket

“…The comprehensive study on the impact of different synthesis techniques on the structural, electrical, and photocatalytic properties of perovskite…”
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Theoretical investigation of surface electronic structure and thermodynamic energies of (1x1) polar and nonpolar K1/2Bi1/2TiO3 (001) surfaces by Kumari, P. Karuna, Niranjan, Manish K.

“…Theoretical investigations are carried to explore surface electronic structure and surface energetics of (1 × 1) polar and nonpolar (001) surfaces of room…”
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Theoretical investigation of electronic bandgaps of semiconducting single-walled carbon nanotubes using semi-empirical self-consistent tight binding and ab-inito density functional methods by Niranjan, Manish K

“…We perform a comprehensive theoretical study of electronic band gaps of semiconducting single-walled carbon nanotubes (SWNTs) with different sets of chiral…”
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Germanium Antimony Bonding in Ba4Ge2Sb2Te10 with Low Thermal Conductivity by Jana, Subhendu, Panigrahi, Gopabandhu, Ishtiyak, Mohd, Narayanswamy, Sake, Bhattacharjee, Pinaki P, Niranjan, Manish K, Prakash, Jai

“…A new quaternary telluride, Ba4Ge2Sb2Te10, was synthesized at high temperature via the reaction of elements. A single-crystal X-ray diffraction study shows…”
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Interface magnetoelectric effect and its sensitivity on interface structures in Fe/AgNbO3 and SrRuO3/AgNbO3 heterostructures: A first-principles investigation by Kumari, P. Karuna, Niranjan, Manish K.

“…•Theoretical investigation of interface magnetoelectric effect in oxide heterostructures is performed.•Interface magnetoelectric effect is found to be highly…”
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First principles study of lead free piezoelectric AgNbO3 and (Ag1−xKx)NbO3 solid solutions by Niranjan, Manish K., Asthana, Saket

“…We present an ab-initio study of structural, electronic and ferroic properties of lead-free orthorhombic AgNbO3 in centrosymmetric Pbcm and recently proposed…”
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Interface Local Magnetic Moment and Its Near Periodic Modulation in Oxide SrRuO3|LaAlO3 Heterojunctions: An Ab Initio Investigation by Karthikeyan, R., Niranjan, Manish K.

“…Using density functional theory, the interface local magnetic moment and its variation are explored in SrRuO 3 |LaAlO 3 |vacuum (001) heterostructures with…”
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Germanium Antimony Bonding in Ba 4 Ge 2 Sb 2 Te 10 with Low Thermal Conductivity by Jana, Subhendu, Panigrahi, Gopabandhu, Ishtiyak, Mohd, Narayanswamy, Sake, Bhattacharjee, Pinaki P, Niranjan, Manish K, Prakash, Jai

“…A new quaternary telluride, Ba Ge Sb Te , was synthesized at high temperature via the reaction of elements. A single-crystal X-ray diffraction study shows that…”
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First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi by Niranjan, Manish K.

“…Metal silicides are of great interest due to their numerous applications and interesting properties. Here we present a comprehensive theoretical study of…”
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Chalcogen dependent metal vacancies and disorder in Ba2Ln1−xMn2−yS5 and Ba2−δLn1−xMn2−ySe5 (Ln = Pr, Nd, and Gd) structures by Panigrahi, Gopabandhu, Jana, Subhendu, Ishtiyak, Mohd, Tripathy, Bikash, Malladi, Sairam K., Niranjan, Manish K., Prakash, Jai

“…•Single crystals of Ba2−δLn1−xMn2−yQ5 were synthesized by the molten-flux method.•The crystal structures of Ba2−δLn1−xMn2−yQ5 were determined by single-crystal…”
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Magnetic Tunnel Junctions with Ferroelectric Barriers: Prediction of Four Resistance States from First Principles by Velev, Julian P, Duan, Chun-Gang, Burton, J. D, Smogunov, Alexander, Niranjan, Manish K, Tosatti, Erio, Jaswal, S. S, Tsymbal, Evgeny Y

“…Magnetic tunnel junctions (MTJs), composed of two ferromagnetic electrodes separated by a thin insulating barrier layer, are currently used in spintronic…”
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Ab-initio determination of thermodynamic properties of CoSi2 by Niranjan, Manish K.

“…[Display omitted] •Thermal parameters of CoSi2 are calculated using ab initio DFT framework.•Thermodynamic Gruneisen parameter of CoSi2 is calculated to be…”
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Enhancement of magnetic and electrical properties in Sc substituted BiFeO3 multiferroic by Durga Rao, T., Kumari, Asmitha, Niranjan, Manish K., Asthana, Saket

“…Polycrystalline BiFe1−xScxO3 (x=0, 0.05, 0.1 and 0.15) compounds are prepared using solid state reaction. The XRD patterns show that all compounds are…”
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Electronic structure, vibrational and thermoelectric properties of AgTaO3: A first-principles study by Ganga Prasad, K., Niranjan, Manish K., Asthana, Saket

“…We investigate electronic structure, vibrational, ferroic and thermoelectric properties of AgTaO3 within the frame of density functional theory. The atomic…”
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Magnetoelectric effect at the SrRuO3/BaTiO3 (001) interface: An ab initio study by Niranjan, Manish K., Burton, J. D., Velev, J. P., Jaswal, S. S., Tsymbal, E. Y.

“…Ferromagnet/ferroelectric interface materials have emerged as structures with strong magnetoelectric coupling that may exist due to unconventional physical…”
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First principles theoretical investigations of low Young's modulus beta Ti–Nb and Ti–Nb–Zr alloys compositions for biomedical applications by Karre, Rajamallu, Niranjan, Manish K., Dey, Suhash R.

“…High alloyed β-phase stabilized titanium alloys are known to provide comparable Young's modulus as that to the human bones (~30GPa) but is marred by its high…”
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Density functional determination of the magnetic state of β-MnAs by NIRANJAN, Manish K, SAHU, B. R, KLEINMAN, Leonard

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