Journal of Materials Science

, Volume 55, Issue 1, pp 250–262 | Cite as

Study of transport properties in Se-deficient and Fe-intercalated NbSe2 single crystals: experiment and theory

  • Rukshana Pervin
  • Abyay Ghosh
  • Haranath Ghosh
  • Parasharam M. ShirageEmail author
Electronic materials


In this study, the magnetoresistance measurements of Se-deficient (i.e., NbSe1.85) as well as Fe-incorporated NbSe2 (Fe0.0015NbSe2) were performed to observe the effect of both intrinsic and extrinsic defect in the thermally activated flux flow region (TAFF) of NbSe2. In TAFF region, NbSe1.85 shows nonlinear response of thermal activation energy (TAE) with temperature following the modified TAFF method. For NbSe2 and Fe0.0015NbSe2, TAE depends linearly on temperature and hence was evaluated using Arrhenius relation. NbSe1.85 can be considered as the 2D-like system in the TAFF region. The magnetic field dependence of TAE shows parabolic nature in Fe0.0015NbSe2 in contrast to the power-law dependence of TAE in NbSe1.85. The power-law dependence of TAE in NbSe1.85 indicates the plastic deformation flux lines. The parabolic dependence indicates the elastic deformation of flux lines in pure as well as in Fe0.0015NbSe2. The band structures and density of states (DOS) of the above mentioned two cases were calculated using first-principle density functional theory. The number of bands and the DOS at the Fermi level decreases remarkably for both Se vacancy and Fe doping cases, indicating to the degradation of superconductivity. A peak shift in the partial density of state of Nb was observed at the Fermi level of Fe0.0015NbSe2. Spin-polarized optimization of first-principle calculations implies large Fe–Se overlaps and contradicts the Kondo mechanism due to the low concentration of Fe atoms. The spin polarization calculation indicates the negligible effect of magnetism of Fe atoms in Fe0.0015NbSe2.



This work was supported by the Department of Science and Technology (SERB-DST), India by granting a prestigious Ramanujan Fellowship (SR/S2/RJN-121/2012) and CSIR research Grant No. 03(1349)/16/EMR-II to PMS. PMS is grateful to Prof. Pradeep Mathur, Director, IIT Indore, for boosting the research work and giving the necessary facilities. The authors are thankful to SIC Indore for providing research facilities. The authors also express sincere gratitude to Dr. R. Rawat, Scientist, UGC-DAE Consortium for Scientific Research, Indore, for providing low temperature 4-probe resistivity measurement facility. The author RP thanks DST Inspire for giving meritorious fellowship (DST/INSPIRE/03/2014/004196). Abyay Ghosh acknowledges financial support from HBNI, RRCAT. Authors (AG and HG) are thankful to Dr. P. A. Naik, Director RRCAT for encouragements.

Supplementary material

10853_2019_4002_MOESM1_ESM.docx (13.7 mb)
Supplementary material 1 (DOCX 14055 kb)


  1. 1.
    Huang CL, Lin JY, Chang YT, Sun CP, Shen HY, Chou CC, Berger H, Lee TK, Yang HD (2007) Experimental evidence for a two-gap structure of superconducting NbSe2: a specific heat study in external magnetic fields. Phys Rev B 76:212504CrossRefGoogle Scholar
  2. 2.
    Ugeda MM, Bradley AJ, Zhang Y, Onishi S, Chen Y, Ruan W, Aristizabai CO, Ryu H, Edmonds MT, Tsai HZ, Riss A, Mo SK, Lee D, Jettl A, Hussain Z, Shen ZX, Crommie MF (2016) Characterization of collective ground states in single-layer NbSe2. Nat Phys 12:92–96CrossRefGoogle Scholar
  3. 3.
    Frindt RF (1972) Superconductivity in ultrathin NbSe2 layers. Phys Rev Lett 28:299–301CrossRefGoogle Scholar
  4. 4.
    Li H, Chen L, Zhang K, Liang J, Tang H, Li C, Liu X, Meng J, Wang Z (2014) Atomic structures and electronic properties of 2H-NbSe2: the impact of Ti doping. J Appl Phys 116:103709CrossRefGoogle Scholar
  5. 5.
    Morris RC, Young BW, Coleman RV (1974) Anisotropic Kondo resistance in Fe doped NbSe2. AIP Conf Proc 18:292–296Google Scholar
  6. 6.
    Luo H, Nowak JS, Li J, Tao J, Klimczuk T, Cava RJ (2017) S-shaped suppression of the superconducting transition temperature in Cu-intercalated NbSe2. Chem Mater 29:3704–3712CrossRefGoogle Scholar
  7. 7.
    Iavarone M, Di Capua R, Karpetrov G, Koshelev AE, Rosenmann D, Claus H, Malliakas CD, Kanatzidis MG, Nishizaki T, Kobayashi N (2008) Effect of magnetic impurities on the vortex lattice properties in NbSe2 single crystals. Phys Rev B 78:174518CrossRefGoogle Scholar
  8. 8.
    Coleman RV, Fleming RM, Whitney DA, Domb ER, Sellymer DJ (1976) Localized moments and magnetic interactions in Fe-doped layer compounds NbSe2 and TaSe2. AIP Conf Proc 29:400–401CrossRefGoogle Scholar
  9. 9.
    Hillenius SJ, Coleman RV, Domb ER, Sellmyer DJ (1979) Magnetic properties of iron-doped layer-structure dichalcogenides. Phys Rev B 19:4711–4722CrossRefGoogle Scholar
  10. 10.
    Lian CS, Si C, Duan W (2018) Unveiling charge-density wave, superconductivity, and their competitive nature in two-dimensional NbSe2. Nano Lett 18:2924–2929CrossRefGoogle Scholar
  11. 11.
    Blatter G, Feigel’man MV, Geshkenbein VB, Larkin AI, Vinokur VM (1994) Vortices in high-temperature superconductors. Rev Mod Phys 66:1125–1388CrossRefGoogle Scholar
  12. 12.
    Anderson PW (1962) Theory of flux creep in hard superconductors. Phys Rev Lett 9:309–311CrossRefGoogle Scholar
  13. 13.
    Kim YB, Hempstead CF, Strnad AR (1965) Flux-flow resistance in type-II superconductors. Phys Rev 139:A1163–A1172CrossRefGoogle Scholar
  14. 14.
    Tinkham M (1964) Viscous flow of flux in type ii superconductors. Phys Rev Lett 13:804–807CrossRefGoogle Scholar
  15. 15.
    Kim JJ, Lee HK, Chung J, Shin HJ, Lee HJ, Ku JK (1991) Flux-creep dissipation in epitaxial YBa2Cu3O7-δ film: magnetic-field and electrical-current dependence. Phys Rev B 43:2962–2967CrossRefGoogle Scholar
  16. 16.
    Palstra TTM, Batlogg B, Schneemeyer LF, Waszczak JV (1988) Thermally activated dissipation in Bi2.2Sr2Ca0.8Cu2O8+δ. Phys Rev Lett 61:1662–1665CrossRefGoogle Scholar
  17. 17.
    Kaushik SD, Braccini V, Patnaik S (2008) Magnetic field dependence of vortex activation energy: a comparison between MgB2, NbSe2 and Bi2Sr2Ca2Cu3O10 superconductors. Pramana 71:1335–1343CrossRefGoogle Scholar
  18. 18.
    Pervin R, Krishnan M, Rana AK, Kannan M, Arumugam S, Shirage PM (2017) Enhancement of superconducting critical current density by Fe impurity substation in NbSe2 single crystals and the vortex pinning mechanism. Phys Chem Chem Phys 19:11230–11238CrossRefGoogle Scholar
  19. 19.
    Pervin R, Krishnan M, Rana AK, Arumugam S, Shirage PM (2018) Effect of Cr atoms in vortex dynamics of NbSe2 superconductor and study of second magnetization peak effect. Mater Res Express 5:076001CrossRefGoogle Scholar
  20. 20.
    Segall MD, Lindan PJD, Probert MJ, Pickard CJ, Hasnip PJ, Clark SJ, Payne MC (2002) First-principles simulation: ideas, illustrations and the CASTEP code. J Phys Condens Matter 14:2717–2744CrossRefGoogle Scholar
  21. 21.
    Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868CrossRefGoogle Scholar
  22. 22.
    Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:5188–5192CrossRefGoogle Scholar
  23. 23.
    Pack JD, Monkhorst HJ (1977) “Special points for Brillouin-zone integrations”-a reply. Phys Rev B 16:1748–1749CrossRefGoogle Scholar
  24. 24.
    Pervin R, Krishnan M, Arumugam S, Shirage PM (2019) Coexistence of superconductivity and ferromagnetism in defect-induced NbSe2 single crystals. J Mater Sci 54:11903–11912. CrossRefGoogle Scholar
  25. 25.
    Khim S, Kim JW, Choi ES, Bang Y, Nohara M, Takagi H, Kim KH (2010) Evidence for dominant Pauli paramagnetic effect in the upper critical field of single-crystalline FeTe06Se04. Phys Rev B 81:184511CrossRefGoogle Scholar
  26. 26.
    Anderson PW, Kim YB (1964) Hard superconductivity: theory of the motion of Abrikosov flux lines. Rev Mod Phys 36:39–43CrossRefGoogle Scholar
  27. 27.
    Özçelik B, Gürsul M, Karaçora Nane F, Madre MA, Sotelo A (2018) Effect of Na-substitution on magnetoresistance and flux pinning energy of Bi-2212 ceramics prepared via hot-forging process. J Mater Sci Mater Electron 29:19147–19154CrossRefGoogle Scholar
  28. 28.
    Khadzhai GY, Vovk CR, Vovk RV (2017) Broadening of the superconducting transition in single crystal Y-Ba-Cu-O. J Low Temp Phys 43:1119–1121CrossRefGoogle Scholar
  29. 29.
    Whitney DA, Fleming RM, Coleman RV (1977) Magnetotransport and superconductivity in dilute Fe alloys of NbSe2, TaSe2, and TaS2. Phys Rev B 15:3405–3423CrossRefGoogle Scholar
  30. 30.
    Kang S, Goyal A, Li J, Gapud AA, Martin PM, Heatherly L, Thompson JR, Christen DK, List FA, Paranthaman M, Lee DF (2006) High-performance high-Tc superconducting wires. Science 311:1911–1914CrossRefGoogle Scholar
  31. 31.
    Shirage PM, Iyo A, Shivagan DD, Tanaka Y, Kito H, Kodama Y (2008) Irreversibility line and flux pinning properties in a multilayered cuprate superconductor of Ba2Ca3Cu4O8(O, F)2 (Tc = 105 K). Supercond Sci Technol 21:075014CrossRefGoogle Scholar
  32. 32.
    Shirage PM, Tanaka Y, Iyo A (2010) The critical current density, irreversibility line, and flux pinning properties of Ba2CaCu2O4(O, F)2 high-Tc superconductor. J Appl Phys 107:093905CrossRefGoogle Scholar
  33. 33.
    Zhang YZ, Ren ZA, Zhao ZX (2009) Thermally activated energy and critical magnetic fields of SmFeAsO09F01. Supercond Sci Technol 22:065012CrossRefGoogle Scholar
  34. 34.
    Song YJ, Kang B, Rhee JS, Kwon YS (2012) Thermally activated flux flow and fluctuation conductivity in LiFeAs single crystal. EPL 97:47003CrossRefGoogle Scholar
  35. 35.
    Lei H, Hu R, Choi ES, Petrovic C (2010) Thermally activated energy and flux-flow Hall effect of Fe1+y(Te1+xSx)z. Phys Rev B 82:13425CrossRefGoogle Scholar
  36. 36.
    Berk NF, Schrieffer JR (1966) Effect of ferromagnetic spin correlations on superconductivity. Phys Rev Lett 17:433–435CrossRefGoogle Scholar
  37. 37.
    Kramer EJ (1973) Scaling laws for flux pinning in hard superconductors. J Appl Phys 44:1360–1370CrossRefGoogle Scholar
  38. 38.
    Patnaik S, Gurevich A, Bu SD, Kaushik SD, Choi J, Eom CB, Larbalestier DC (2004) Thermally activated current transport in MgB2 films. Phys Rev B 70:064503CrossRefGoogle Scholar
  39. 39.
    Kierfeld J, Nordborg H, Vinokur VM (2000) Theory of plastic vortex creep. Phys Rev Lett 85:4948CrossRefGoogle Scholar
  40. 40.
    Leo A, Grimaldi G, Guarino A, Avitabile F, Nigro A, Galluzzi A, Mancusi D, Polichetti M, Pace S, Buchkov K, Nazarova E, Kawale S, Bellingeri E, Ferdeghini C (2015) Vortex pinning properties in Fe-chalcogenides. Supercond Sci Technol 28:125001CrossRefGoogle Scholar
  41. 41.
    Vinokur VM, Feigel’man MV, Geshkenbein VB, Larkin AI (1990) Resistivity of high-Tc superconductors in a vortex-liquid state. Phys Rev Lett 65:259–262CrossRefGoogle Scholar
  42. 42.
    Wang XL, Li AH, Yu S, Ooi S, Hirata K, Lin CT, Collings EW, Sumption MD, Bhatia M, Ding SY, Dou SX (2005) Thermally assisted flux flow and individual vortex pinning in Bi2Sr2Ca2Cu3O10 single crystals grown by the traveling solvent floating zone technique. J Appl Phys 97:10B114CrossRefGoogle Scholar
  43. 43.
    Choi WJ, Seo YI, Ahmad D, Kwon YS (2017) Thermal activation energy of 3D vortex matter in NaFe1−x CoxAs (x = 0.01, 0.03 and 0.07) single crystals. Sci Rep 7:10900CrossRefGoogle Scholar
  44. 44.
    Thompson JR, Sorge KD, Cantoni C, Kerchner HR, Christen DK, Paranthaman M (2005) Vortex pinning and slow creep in high-Jc MgB2 thin films: a magnetic and transport study. Supercond Sci Technol 18:970–976CrossRefGoogle Scholar
  45. 45.
    Marezio M, Dernier PD, Menth A, Hull GW Jr (1972) The crystal structure of NbSe2 at 15°K. J Solid State Chem 4:425–429CrossRefGoogle Scholar
  46. 46.
    Boaknin E, Tanatar MA, Paglione J, Hawthorn D, Ronning F, Hill RW, Sutherland M, Taillefer L, Sonier J, Hayden SM, Brill JW (2003) Heat conduction in the vortex state of NbSe2: evidence for multiband superconductivity. Phys Rev Lett 90:117003CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  1. 1.Discipline of Metallurgy Engineering and Materials Science and PhysicsIndian Institute of Technology IndoreSimrol, IndoreIndia
  2. 2.Homi Bhaba National InstituteMumbaiIndia
  3. 3.Human Resources Development SectionRaja Ramanna Centre for Advanced TechnologyIndoreIndia

Personalised recommendations