Browse by IITH Authors

Niranjan, Manish K and Prakash, J. (2023) Y3Fe0.5SiSe7: A new cation-deficient quaternary mixed transition metal chalcogenide with extremely low thermal conductivity. Solid State Sciences, 138. p. 107133. ISSN 1293-2558

Jana, S. and Niranjan, Manish K and Prakash, J. and et al, . (2022) Synthesis, crystal structure, optical bandgap, and electronic structure of Cs2FeP2S6. Solid State Sciences, 128. pp. 1-7. ISSN 1293-2558

Mamindla, Ramesh and Niranjan, Manish K (2022) Influence of phonon-assisted tunneling on photovoltaic properties of BaSi2 and BaGe2 p–n homojunction solar cell devices. Journal of Applied Physics, 131 (18). pp. 1-12. ISSN 0021-8979

Barman, Sayani and Jana, Subhendu and Panigrahi, Gopabandhu and Yadav, Sweta and Niranjan, Manish K. and Prakash, Jai (2022) Ba3Zr2Cu4S9: the first quaternary phase of the Ba–Zr–Cu–S system. New Journal of Chemistry. ISSN 1144-0546

Malladi, Sairam K and Niranjan, Manish K and Prakash, J. and et al, . (2022) Chalcogen dependent metal vacancies and disorder in Ba2Ln1−Mn2−S5 and Ba2−Ln1−Mn2−Se5 (Ln = Pr, Nd, and Gd) structures. Journal of Alloys and Compounds, 901. pp. 1-12. ISSN 0925-8388

Ghosh, Arghya and Jana, Subrata and Niranjan, Manish K. and et al, . (2022) Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations. The Journal of Physical Chemistry C, 126 (34). pp. 14650-14660. ISSN 1932-7447

Mamindla, Ramesh and Ghosh, Arghya and Niranjan, Manish K (2022) Electron–phonon interaction effect on the photovoltaic parameters of indirect (direct) bandgap AlSb (GaSb) p–n junction solar cell devices: a density functional theoretical study. Physical Chemistry Chemical Physics. pp. 1-11. ISSN 1463-9076

Jana, Subhendu and Panigrahi, Gopabandhu and Ummethala, Govind and Ghosh, Arghya and Malladi, Sairam K. and Niranjan, Manish K. and Jai, Prakash (2022) Extremely low thermal conductivity in BaSb2Se4: Synthesis, characterization, and DFT studies. Journal of Solid State Chemistry, 315. pp. 1-11. ISSN 0022-4596

Yadav, Sweta and Jana, Subhendu and Panigrahi, Gopabandhu and Malladi, Sairam K. and Niranjan, Manish K. and Prakash, Jai (2022) Five coordinated Mn in Ba4Mn2Si2Te9: synthesis, crystal structure, physical properties, and electronic structure. Dalton Transactions, 51 (24). pp. 9265-9277. ISSN 1477-9226

Jana, Subhendu and Panigrahi, Gopabandhu and Ishtiyak, Mohd and Narayanswamy, Sake and Bhattacharjee, Pinaki Prasad and Niranjan, Manish K. and Prakash, J. (2022) Germanium Antimony Bonding in Ba4Ge2Sb2Te10 with Low Thermal Conductivity. Inorganic Chemistry, 61 (2). pp. 968-981. ISSN 0020-1669

Ghosh, Arghya and Jana, Subrata and Niranjan, Manish K and et al, . (2022) Improved electronic structure prediction of chalcopyrite semiconductors from a semilocal density functional based on Pauli kinetic energy enhancement factor. Journal of Physics: Condensed Matter, 34 (7). ISSN 0953-8984

Malladi, Sairam K and Niranjan, Manish K and Jai, Prakash and et al, . (2022) Metal to insulator transition in Ba2Ge2Te5: Synthesis, crystal structure, resistivity, thermal conductivity, and electronic structure. Materials Research Bulletin, 147. pp. 1-10. ISSN 0025-5408

Panigrahi, Gopabandhu and Yadav, Sweta and Niranjan, Manish K. and Prakash, J. and et al, . (2022) Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te). New Journal of Chemistry, 46. pp. 1-12. ISSN 1144-0546

Malladi, Sairam K and Niranjan, Manish K and Prakash, J. and et al, . (2022) Synthesis, characterization, and electronic structure of SrBi2S4. Journal of Solid State Chemistry, 312. pp. 1-11. ISSN 0022-4596

Malladi, Sairam K and Niranjan, Manish K and Prakash, J. and et al, . (2022) A new non-stoichiometric quaternary sulfide Ba3.14(4)Sn0.61(1)Bi2.39(1)S8: Synthesis, crystal structure, physical properties, and electronic structure. Journal of Solid State Chemistry, 308. pp. 1-10. ISSN 0022-4596

Panigrahi, G. and Bhattacharjee, P. P. and Niranjan, M. K. and Prakash, J. and et al, . (2021) Ba2Ln1−xMn2Te5 (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure. Dalton Transactions, 50 (19). pp. 6688-6701. ISSN 1477-9226

Kumari, P. Karuna and Niranjan, Manish K. (2021) Interface magnetoelectric effect and its sensitivity on interface structures in Fe/AgNbO3 and SrRuO3/AgNbO3 heterostructures: A first-principles investigation. Journal of Magnetism and Magnetic Materials, 517. p. 167372. ISSN 03048853

Panigrahi, Gopabandhu and Jana, Subhendu and Narayanswamy, S. and Bhattacharjee, Pinaki Prasad and Niranjan, Manish K. and Jai, Prakash (2021) Reactive molten-flux assisted syntheses of single crystals of Cs19Ln19Mn10Te48 (Ln = Pr and Gd) crystallizing in a new structure type. CrystEngComm, 23 (47). pp. 8418-8429. ISSN 1466-8033

Niranjan, Manish K. (2021) Significance of Coulomb interaction in interlayer coupling, polarized Raman intensities, and infrared activities in the layered van der Waals semiconductor GaSe. Physical Review B, 103 (19). ISSN 2469-9950

Ishtiyak, M. and Jana, S. and Karthikeyan, R. and Ramesh, M. and Tripathy, B. and Malladi, S.K. and Niranjan, M.K. and Prakash, J. (2021) Syntheses of five new layered quaternary chalcogenides SrScCuSe3, SrScCuTe3, BaScCuSe3, BaScCuTe3, and BaScAgTe3: Crystal structures, thermoelectric properties, and electronic structures. Inorganic Chemistry Frontiers, 8 (17). pp. 4086-4101. ISSN 20521553

Niranjan, Manish K and Ghosh, Arghya (2021) Theoretical investigation of lattice dynamics, infrared reflectivity, polarized Raman spectra and nature of interlayer coupling in two-dimensional layered gallium sulfide. Journal of Physics: Condensed Matter, 33 (40). ISSN 0953-8984

Ramesh, M. and Niranjan, Manish K (2020) First principle study of bias voltage dependent Schottky barrier height of Pt/MgO interface. In: 3rd International Conference on Condensed Matter and Applied Physics, ICC 2019, 14 - 15 October 2019, Bikaner.

Niranjan, Manish K. and Mamindla, Ramesh (2020) Schottky barrier height and modulation due to interface structure and defects in Pt|MgO|Pt heterojunctions with implications for resistive switching. Journal of Applied Physics, 127 (20). p. 205306. ISSN 0021-8979

Mamindla, Ramesh and Niranjan, Manish K (2020) Surface electronic structure, relaxations and thermodynamic energies of (100), (110) and (111) surfaces of Mg2Si: A first-principles theoretical study. Surface Science, 691 (121506). pp. 1-8. ISSN 0039-6028

Karuna Kumari, P and Niranjan, Manish K (2020) Surface electronic structure, thermodynamic stability of Na1/2Bi1/2TiO3 (001) surfaces and their relevance to A-site cation ordering in bulk phases: A first-principles study. Solid State Sciences, 102. ISSN 1293-2558

Jana, Subhendu and Panigrahi, Gopabandhu and Bhattacharjee, Pinaki Prasad and et al, . (2020) Synthesis, crystal structure, optical absorption study, and electronic structure of Cs3FeCl5. Solid State Sciences, 100 (106064). pp. 1-6. ISSN 1293-2558 (In Press)

Niranjan, Manish K (2020) Theoretical investigation of electronic bandgaps of semiconducting single-walled carbon nanotubes using semi-empirical self-consistent tight binding and <i>ab-inito</i> density functional methods. Journal of Physics Communications, 4 (015004). pp. 1-10. ISSN 2399-6528

Niranjan, Manish K and Mamindla, Ramesh (2019) Asymmetric-dimer reconstruction and semiconducting properties of Mg2Si(100) surfaces: Prediction from meta-GGA and hybrid functional study. Solid State Sciences, 98. p. 106030. ISSN 12932558

Maurya, Anuj and Niranjan, Manish K (2019) Ferroelectric superlattices at nano scale: A Theoretical Investigation. Masters thesis, Indian institute of technology Hyderabad.

Karthikeyan, R and Niranjan, Manish K (2019) Large modulation of interface magnetization and interface magnetoelectric effect in SrRuO3|KNbO3 oxide heterostructures: Prediction from first-principles study. Journal of Magnetism and Magnetic Materials, 469. pp. 138-145. ISSN 0304-8853

Kumari, P Karuna and Niranjan, Manish K (2019) Theoretical investigation of surface electronic structure and thermodynamic energies of (1x1) polar and nonpolar K1/2Bi1/2TiO3 (001) surfaces. Journal of Physics and Chemistry of Solids, 135. p. 109116. ISSN 00223697

Karthikeyan, R and Niranjan, Manish K (2018) Interface Local Magnetic Moment and Its Near Periodic Modulation in Oxide SrRuO₃| LaAlO₃ Heterojunctions: An Ab Initio Investigation. IEEE Transactions on Magnetics (99). pp. 1-7. ISSN 0018-9464

Banerjee, Krishnarjuna and Asthana, Saket and P, Karuna Kumari and Niranjan, Manish K (2018) Optimum discharge energy density at room temperature in relaxor K_1/2Bi_1/2TiO₃ for green energy harvesting. Journal of Physics D: Applied Physics, 51 (11). ISSN 0022-3727 (Submitted)

Ramesh, M. and Niranjan, Manish K. (2018) Phonon modes, dielectric properties, infrared reflectivity, and Raman intensity spectra of semiconducting silicide BaSi2: First principles study. Journal of Physics and Chemistry of Solids, 121. pp. 219-227. ISSN 00223697

Ramesh, M and Niranjan, Manish K (2018) Theoretical investigation of lattice dynamics, dielectric properties, Infrared reflectivity and Raman intensity spectra of Nowotny chimney-ladder semiconducting silicide Ru2Si3. Materials Chemistry and Physics. ISSN 0254-0584 (In Press)

K, Ganga Prasad and Niranjan, Manish K and Asthana, Saket (2017) Electronic structure, vibrational and thermoelectric properties of AgTaO3: A first-principles study. Journal of Alloys and Compounds, 696. pp. 1168-1173. ISSN 0925-8388

Rajamallu, Karre and Niranjan, Manish K and Kei, Ameyama and Dey, Suhash Ranjan (2017) Phase stability and elastic properties of β Ti-Nb-X (X=Zr, Sn) alloys: An ab-initio density functional study. Modelling and Simulation in Materials Science and Engineering. ISSN 0965-0393 (In Press)

Prasad, K g and Niranjan, Manish K and Asthana, Saket (2017) The electrical properties and relaxation behavior of AgNb1/2Ta1/2O3 ceramic. Physica B: Condensed Matter, 506. pp. 42-47. ISSN 0921-4526

Pan, J and Niranjan, Manish K and Waghmare, U K (2016) Aliovalent cation ordering, coexisting ferroelectric structures, and electric field induced phase transformation in lead-free ferroelectric Na0.5Bi0.5TiO3. Journal of Applied Physics, 119 (12). ISSN 0021-8979

Niranjan, Manish K (2016) Infrared reflectivity and Raman intensity spectrum of relaxor ferroelectric Na1/2 Bi1/2TiO3 at room temperature: a first-principles theoretical study. Materials Research Express, 3 (12). p. 125501. ISSN 2053-1591

Niranjan, Manish K (2016) Interface electronic structure and Schottky-barrier height in Si/NiSi(010) and Si/PtSi(010) heterostructures: A first-principles theoretical study. Superlattices and Microstructures, 100. pp. 808-817. ISSN 0749-6036

Kotagiri, G P and Niranjan, Manish K and Asthana, Saket and Karthikeyan, R (2016) Investigation of Raman Modes and Born-Effective Charges in AgNb1/2Ta1/2O3: A Density-Functional and Raman Scattering Study. Journal of the American Ceramic Society, 99 (1). pp. 332-339. ISSN 0002-7820

V, Sampath Kumar and Niranjan, Manish K (2016) Precise control of Schottky barrier height in SrTiO3/SrRuO3 heterojunctions using ultrathin interface polar layers. Journal of Physics D: Applied Physics, 49 (25). ISSN 0022-3727

Oditya, Krishna Kant and Asthana, Saket and Niranjan, Manish K (2016) Synthesis And Characterization of ferroelectric material (Na0.5Bi0.5)TiO3- Eu2O3. Masters thesis, Indian Institute of Technology Hyderabad.

K, Ganga Prasad and Niranjan, Manish K and Asthana, Saket (2016) Theoretical and Experimental investigation of structural, vibrational and ferroic properties of AgNbO3 and AgNb1/2 Ta1/2O3 systems. PhD thesis, Indian Institute of Technology Hyderabad.

Niranjan, Manish K (2016) Theoretical investigation of surface states and energetics of PtSi surfaces. Surface Science, 649. pp. 27-33. ISSN 0039-6028

Singh, Shivani and Niranjan, Manish K (2015) Theoretical Investigation of Crystal and Electronic Structure of piezoelectric AgNb0.5Ta0.5O3. Masters thesis, Indian Institute of Technology Hyderabad.

Niranjan, Manish K (2015) Anisotropy in elastic properties of TiSi2 (C49, C40 and C54), TiSi and Ti5Si3: an ab-initio density functional study. Materials Research Express, 2 (9). ISSN 2053-1591

Niranjan, Manish K and K, Ganga Prasad and Asthana, Saket and Rayapol, S and Siruguri, V (2015) Investigation of structural, vibrational and ferroic properties of AgNbO3 at room temperature using neutron diffraction, Raman scattering and density-functional theory. Journal of Physics D: Applied Physics, 48 (21). ISSN 0022-3727

K, Gangaprasad and T, Durga Rao and Niranjan, Manish K and Asthana, Saket (2015) Microstructural studies of AgNbO3 ceramic by using complex impedance spectroscopy. In: SOLID STATE PHYSICS: Proceedings of the 59th DAE Solid State Physics Symposium 2014, 16–20 December 2014, Tamilnadu, India.

T, Durga Rao and Asthana, Saket and Niranjan, Manish K (2015) Observation of coexistence of ferroelectric and antiferroelectric phases in Sc substituted BiFeO3. Journal of Alloys and Compounds, 642. pp. 192-199. ISSN 0925-8388

Tiwari, Maitraiyee and Niranjan, Manish K (2015) Study of Structural and Bulk Properties of Tisi2 Compound. Masters thesis, Indian Institute of Technology Hyderabad.

Niranjan, Manish K (2014) Ab-initio determination of thermodynamic properties of CoSi2. Computational Materials Science, 95. pp. 517-521. ISSN 0927-0256

Dutta, Biswajit and Niranjan, Manish K and Asthana, Saket (2014) Dielectric Studies of Agta0.5Nb0.5O3. Masters thesis, Indian Institute of Technology Hyderabad.

V, Sampath Kumar and Niranjan, Manish K (2014) Effect of Surface Structure on Workfunction and Schottky-Barrier Height in Srruo3/Srtio3 (001) Heterojunctions. In: Journal of Applied Physics, 7 May 2014.

Durga Rao, T and A, Kumari and Niranjan, Manish K and Asthana, Saket (2014) Enhancement of magnetic and electrical properties in Sc substituted BiFeO3 multiferroic. Physica B: Condensed Matter, 448. pp. 267-272. ISSN 0921-4526

Niranjan, Manish K and Karthik, T and Asthana, Saket and Pan, J and Waghmare, U V (2013) Theoretical and experimental investigation of Raman modes, ferroelectric and dielectric properties of relaxor Na0.5Bi0.5TiO3. Journal of Applied Physics, 13 (194106). pp. 1-7. ISSN 0021-8979

Niranjan, Manish K and Asthana, Saket (2012) First principles study of lead free piezoelectric AgNbO 3 and (Ag 1-xK x)NbO 3 solid solutions. Solid State Communications, 152 (17). pp. 1707-1710. ISSN 0038-1098

Niranjan, Manish K (2012) First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi. Intermetallics, 26. pp. 150-156. ISSN 0966-9795

Niranjan, Manish K and Waghmare, U V (2012) Relation between the work function and Young's modulus of RhSi and estimate of Schottky-barrier height at RhSi/Si interface: An ab-initio study. Journal of Applied Physics, 112 (9). pp. 1-6. ISSN 0021-8979