MTU

Publications

  1. Pant, D., Pokharel, S., Mandal, S., KC B Dukka, Pati, R. DFT-aided machine learning based discovery of magnetism in Fe-based bimetallic chalcogenides. Scientific Reports 13 , 3277 (2023).

  2. Pant, D., Pati, R. Phase transition from a nonmagnetic to a ferromagnetic state in a twisted bilayer graphene nanoflake: the role of electronic pressure on the magic twist. Nanoscale (Communication) 14 , 11945 (2022).

  3. Aryal, S., Pati, R. PbTe (core)/PbS(shell) Nanowire: Electronic Structure, Thermodynamic Stability, and Mechanical and Optical Properties. J. Phys. Chem. C 125 , 22660 (2021).

  4. Pant, D., Aryal, S., Mandal, S., Pati, R. Emergence of Ferromagnetism due to Spontaneous Symmetry Breaking in a Twisted Bilayer Graphene Nanoflake. Nano Letters 21 , 7548 (2021).

  5. Geng, L., Dhoka, S., Goldfarb, I., Pati, R., Jin, Y. M. Origin of Magnetism in γ-FeSi2/Si (111) Nanostructures. Nanomaterials 11 , 849 (2021).

  6. Aryal, S., Paudyal, D., Pati, R. Cr-Doped Ge-Core/Si-Shell Nanowire: An Antiferromagnetic Semiconductor. Nano Letters 21 , 1856 (2021).

  7. Geng, L., Pati, R., Jin, Y. M. Electric field control of magnetism at the γ-FeSi2/Si (001) interface. Journal of Materials Science 56 , 3804 (2020).

  8. Aryal, S., Pati, R. Spin Filtering with Mn-doped Ge-core/Si-shell Nanowires. Nanoscale Advances 2 , 1843 (2020).

  9. Dascalu, M., Dieguez, O., Geng, L. D., Pati, R., Jin, Y. M., Goldfarb, I. Tomographic layer-by-layer analysis of epitaxial iron-silicide nanostructures by DFT-assisted STS. Applied Surface Science 496 , 143583 (2019).

  10. Sahoo, M., Kushwaha, A., Pati, R., Ajayan, P., Nayak, S. First-principles study of a vertical spin switch in atomic scale two-dimensional platform. J. of Mag. and Mag. Materials 484 , 462 (2019).

  11. Jaishi, M.; Pati, R. Oscillatory Tunnel Magnetoresistance in a Carbon Nanotube Based Three-Terminal Magnetic Tunnel Junction J. Phys. Chem. C DOI: 10.1021/acs.jpcc.8b10458

  12. Chen, T.; Zhang, S.; Jaishi, M.; Adhikari, R.; Bi, J.; Fang, M.; Xia, S.; Zhang, Y.; Luck, R.; Pati, R.; Lee, H.; Luo, F.; Tiwari, A.; Liu, H. New near-infrared fluorescent probes with single-photon Anti-Stokes-Shift fluorescence for sensitive determination of pH variances in Lysosomes with a double-checked capability ACS Appl. Bio Mater. 1, 549 (2018).

  13. Jaishi, M.; Pati, R. Catching the electron in action in real space inside a Ge-Si core-shell nanowire transistor Nanoscale 9, 13425 (2017).

  14. Zhang, S; Adhikari, R.; Fang, M.; Dorh, N.; Li, C.; Jaishi, M.; Zhang, J.; Tiwari, A.; Pati, R.; Luo, F.; Liu, H. Near-Infrared Fluorescent Probes with Large Stokes Shifts for Sensing Zn(II) Ions in Living Cells ACS Sensors 1(12) ,1408 (2016).

  15. Dhungana, Kamal B; Jaishi, M.; Pati, R. Unlocking the Origin of Superior Performance of a Si-Ge Core-Shell Nanowire Quantum Dot Field Effect Transistor Nano Letters 16(7), 3995(2016).

  16. Dorh, N.;Zhu, S.; Dhungana, Kamal B.; Pati, R.; Luo FT.; Liu, H.; Tiwari, A. BODIPY-Based Fluorescent Probes for Sensing Protein Surface-Hydrophobicity Scientific Reports 5, 18337(2015).

  17. Dhungana, Kamal B; Pati, R. Boron Nitride Nanotubes for Spintronics (Review) SENSORS 14(9), 17655(2014).

  18. Dhungana, Kamal B; Pati, R. Fluorinated Boron Nitride Nanotube Quantum Dots: A Spin Filter J. Am. Chem. Soc. 136, 11494(2014).

  19. Dhungana, Kamal B; Pati, R. Giant amplification of tunnel magnetoresistance in a molecular junction: Molecular spin-valve transistor App. Phys. Lett. 104, 16204(2014).

  20. Dhungana, Kamal B; Pati, R.Electrical tuning of spin current in a boron nitride nanotube quantum dot Phys. Chem. Chem. Phys 16, 7996(2014).

  21. Dhungana, Kamal B; Mandal, S; Pati, R.Switching of Conductance in a Molecular Wire: Role of Junction Geometry, Interfacial Distance, and Conformational Change J. Phys. Chem. C 116, 17268(2012).

  22. Mandal, S; Pati, R.What determines the sign reversal of magnetoresistance in a molecular tunnel junction? ACS Nano 6, 3580 (2012).

  23. Mandal,S; Pati, R. Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction Phys. Rev. B 84, 115306 (2011).

  24. Pal, P. P.; Pati, R. Charge Transport in Strongly Coupled Molecular Junctions: "In-Phase" and "Out-of-Phase" Contribution to Electron Tunneling J. Phys. Chem. C 115, 17564 (2011).

  25. Mandal,S; Pati, R. Codoping in a single molecular junction from first principles Phys. Rev. B 83, 195420 (2011).

  26. Pal, P. P.; Pati, R. First-principles study of the variation of electron transport in a single molecular junction with the length of the molecular wire. Phys. Rev. B 82, 045424 (2010).

  27. Bandyopadhyay, A.; Pati, R.; Sahu, S.; Peper, F.; Fujita, D. Massively parallel computing on an organic molecular layer Nature Physics 6, 369-375 (2010); see also News and Views Molecular computing: Aromatic arithmatic by Andy Adamatzky Nature Physics 6, 325-326 (2010).

  28. Pati, R.; Panigrahi, P.; Pal, P.; Akdim, B.; Pachter, R. Gate field induced electronic current modulation in a single wall boron nitride nanotube: Molecular scale field effect transistor. Chem. Phys. Lett. 482, 312 (2009).

  29. Mandal,S.; Pati, R. Quantum confinement and phase transition in PbS nanowire: A first principles study. Chem. Phys. Lett. 479, 244 (2009).

  30. Panigrahi, P.; Pati, R. Controlling interlayer exchange coupling in one-dimensional Fe/Pt multilayered nanowire. Phys. Rev. B 79, 014411 (2009).

  31. Bandyopadhyay, A.; Fujita, D; Pati, R. Architecture of a Massively Parallel Processing Nano-Brain Operating 100 Billion Molecular Neurons Simultaneously. International Journal of Nanotechnology and Molecular Computation, 1(1), 50 (2009).

  32. Valavala, P. K.; Banyai, D.; Seel, M.; Pati, R. Self-consistent calculations of strain-induced band gap changes in semiconducting (n,0) carbon nanotubes. Phys. Rev. B 78, 235430 (2008).

  33. Pati, R.; McClain, M.; Bandyopadhyay, A. Origin of Negative Differential Resistance in a Strongly Coupled Single Molecule-Metal Junction Device. Phys. Rev. Lett. 100, 246801 (2008).

  34. Pal, P. P.; Pati, R. Magnetic properties of one-dimensional Ni/Cu and Ni/Al multilayered nanowires: Role of nonmagnetic spacers. Phys. Rev. B 77, 144430 (2008).

  35. Senapati, L.; Pati, R.; Erwin, S. Controlling spin-polarized electron transport through a molecule: The role of molecular conformation. Phys. Rev. B 76, 024438 (2007).

  36. Panigrahi, P.; Pati, R. Tuning the ferromagnetism of one-dimensional Fe/Pt/Fe multilayer barcode nanowires via the barcode layer effect. Phys. Rev. B 76, 024431 (2007).

  37. Wei, B. Q.; Shima, M.; Pati, R.; Nayak, S. K; Singh D. J; Ma, R. Z.; Li, Y. B.; Bando, Y.; Nasu, S.; Ajayan, P. M. Room-temperature ferromagnetism in doped face-centered cubic Fe nanoparticles. SMALL 2, 804 (2006).

  38. He, H. Y.; Pandey, R.; Pati, R.; Karna, S. P. Spin-polarized electron transport of a self-assembled organic monolayer on a Ni(111) substrate: An organic spin switch. Phys. Rev. B 73, 195311 (2006).

  39. Lau, K. C.; Pandey, R.; Pati, R.; Karna, S. P. Theoretical study of electron transport in boron nanotubes. App. Phys. Lett. 88, 212111 (2006).

  40. Lau, K. C.; Pati. R.; Pandey. R.; Pineda, A. C. First-principles study of the stability and electronic properties of sheets and nanotubes of elemental boron. Chem. Phys. Lett. 418, 549 (2006).

  41. Senapati, L.; Pati. R.; Mailman, M.; Nayak, S. K. First-principles investigation of spin polarized conductance in atomic carbon wires. Phys. Rev. B 72, 064416, (2005).

  42. Pati, R.; Pineda, A. C.; Karna, S. P.; Pandey, R. Ab Initio Calculations of Electron Transfer in Carboranes. Chem. Phys. Lett. 406 483, (2005).

  43. Lau, K.; Despande, M.; Pati, R.; Pandey, R. A theoretical study of electronic and vibrational properties of neutral, cationic and anionic B24 clusters. International Journal of Quantum Chemistry 103, 866, (2005).

  44. Pati, R.; Karna, S. P. Current switching by conformational change in a molecular wire. Phys. Rev. B 69, 155419, (2004).

  45. Pati, R.; Senapati, L.; Ajayan, P. M.; Nayak, S. K.Theoretical study of electrical transport in a fullerene-doped semiconducting carbon nanotubes. J. App. Phys. 95(2), 694, (2004).

  46. Pati. R.; Senapati, L.; Ajayan, P. M.; Nayak, S. K. First principles calculations of spin-polarized electron transport in a molecular wire: Molecular spin valve. Phys. Rev. B (R) 68, 1004071, (2003).

  47. Pati. R.; Mailman, M.; Senapati, L.; Ajayan, P. M.; Mahanti, S. D.; Nayak, S. K. Oscillatory spin-polarized conductance in carbon atom wires. Phys. Rev. B 68, 014412, (2003).

  48. Pati, R.; Senapati, L.; Zhang, Y.; Ajayan, P. M.; Nayak, S. K. Effect of molecular adsorbates on electron transport in carbon nanotube. Proceedings of SPIE 5118, 163, (2003).

  49. Pati. R.; Zhang, Y.; Nayak, S. K.; Ajayan, P. M. Effect of H2O adsorption on electron transport in a carbon nanotube. App. Phys. Lett. 81, 2638, (2002).

  50. Pati, R., and Karna, S. P. Length dependence of intramolecular electron transfer in-bonded rigid molecular rods: an ab initio molecular orbital study. Chem Phys. Lett. 351: 302-310, (2002).

  51. R. Woo; Pati, R.; Karna, S. P. Time-varying response of molecular electron devices: A fundamental requirement for organic nanoelectronics. App. Phys. Lett. 81, 1872, (2002).

  52. Pati. R.; Karna, S. P. Quantum mechanical theory and modeling of molecular transistors. Proceedings of the 2001 1st IEEE Conference on Nanotechnology, pp. 341-345.

  53. Pati. R.; Karna, S. P. Ab initio Hartree-Fock Study of Electron Transfer in organic molecules. J. Chem. Phys. 115 1703, (2001).



Before 2000




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