Abstract.
Magnetic ordering of the first row transition metal intercalates of NbS2 due to coupling between the conduction electrons and the intercalated ions has been explained in terms of Fermi surface nesting. We use angle-resolved photoelectron spectroscopy to investigate the Fermi surface topology and the valence band structure of the quasi-two-dimensional layer compounds Mn1/3NbS2 and Ni1/3NbS2. Charge transfer from the intercalant species to the host layer leads to non-uniform, pocket selective doping of the Fermi surface. The implication of our results on the nesting properties are discussed.
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C.S. McEwen, D.J. St. Julien, P.P. Edwards, M.J. Sienko, Inorg. Chem. 24, 1656 (1985)
F.R. Gamble, F.J. DiSalvo, R.A. Klemm, T.H. Geballe. Science 168, 568 (1970)
S.S.P. Parkin, R.H. Friend, Phil. Mag. B 41, 95 (1980)
R.H. Friend, A.R. Beal, A.D. Yoffe, Phil. Mag. B 35, 1269 (1977)
S.S.P. Parkin, R.H. Friend, Phil. Mag. B 41, 65 (1980)
A. Ruderman, C. Kittel, Phys. Rev. 96, 99 (1954)
T. Kasuya, Progr. Theor. Phys. 16, 45 (1956)
K. Yosida, Phys. Rev. 106 893 (1957)
C. Battaglia, H. Cercellier, F. Clerc, L. Despont, M.G. Garnier, C. Koitzsch, P. Aebi, H. Berger, L. Forró, C. Ambrosch-Draxl, Phys. Rev. B 72, 195114 (2005)
Th. Pillo, L. Patthey, E. Boschung, J. Hayoz, P. Aebi, L. Schlapbach, J. Electron Spectr. Relat. Phenom. 97, 243 (1998)
F. Clerc, C. Battaglia, M. Bovet, L. Despont, C. Monney, H. Cercellier, M.G. Garnier, P. Aebi, Phys. Rev. B 74, 155114 (2006)
N.J. Doran, B. Ricco, D.J. Titterington, G. Wexler, J. Phys. C: Solid State Phys. 11, 685 (1978)
G. Wexler, A.M. Woolley. J. Phys. C: Solid State Phys. 9, 1185 (1976)
Our band structure calculations were performed in the framework of density functional theory using the full potential augmented plane wave plus local orbitals method in conjunction with the generalized gradient approximation as implemented in the Wien2k code by P. Blaha, K. Schwarz, G. Madsen, D. Kvansicka, J. Luitz (Vienna University of Technology, Austria, 2002)
K. Anzenhofer, J.M. van den Berg, P. Cossee, J.N. Helle, J. Phys. Chem. Solids 31, 1057 (1969)
Th. Straub, R. Claessen, Th. Finteis, P. Steiner, S. Huefner, C.S. Oglesby, E. Bucher, Physica B 259–261, 981 (1999)
R. Corcoran, P. Meeson, Y. Onuki, P.-A. Probst, M. Springford, K. Takita, H. Harima, G.Y. Guo, B.L. Gyorffy, J. Phys.: Condens. Matter 6, 4479 (1994)
K. Rossnagel, O. Seifarth, L. Kipp, M. Skibowski, Phys. Rev. B 64, 235119 (2001)
F. Clerc, C. Battaglia, H. Cercellier, C. Monney, H. Berger, L. Despont, M.G. Garnier, P. Aebi, J. Phys.: Condens. Matter (accepted, 2007)
Due to a possible modification of the sample workfunction during the intercalation process, k|| slightly varies. However, for a typical value of the workfunction φ=4 eV with an associated error of Δφ=1 eV, variations of k|| are below 3% and do not influence our conclusions
In the purely ionic picture, the two chalcogen atoms per formula unit can fill their outer p shell by taking four electrons provided by the Nb atom. This leads to a d1 configuration with a single electron left in the Nb d shell. Assuming a divalent state for the intercalant ion and taking into account that only \(\frac{1}{3}\) of the ion is accounted for per formula unit, it contributes an additional \(2\times\frac{1}{3}\) electrons per formula unit to this band, leading to a total band filling of \(\frac{1}{2}(1+\frac{2}{3})=\frac{5}{6}\), where the factor \(\frac{1}{2}\) takes into account the fact that each band can accommodate two electrons
R.H. Page, C.S. Gudeman, J. Opt. Sco. Am. B 7, 1761 (1990)
J. Sugar, C. Corliss, J. Phys. Chem. Ref. Data 14, 1 (1985)
J.J. Barry, H.P. Hughes, J. Phys. C: Solid State Phys. 16, L275 (1983)
J.J. Barry, H.P. Hughes, J. Phys. C: Solid State Phys. 16, 5393 (1983)
J. Voit, L. Perfetti, F. Zwick, H. Berger, G. Margaritondo, G. Gruener, H. Hoechst, M. Grioni, Science 290, 501 (2000)
L.M. Roth, H.J. Zeiger, T.A. Kaplan, Phys. Rev. 149, 519 (1966)
D.E. Moncton, J.D. Axe, F.J. DiSalvo, Phys. Rev. Lett. 34, 734 (1975)
R. Liu, W.C. Tonjes, V.A. Greanya, C.G. Olson, R.F. Frindt, Phys. Rev. B 61, 5212 (2000)
T. Valla, A.V. Fedorov, P.D. Johnson, P.-A. Glans, C. McGuinness, K.E. Smith, E.Y. Andrei, H. Berger, Phys. Rev. Lett. 92, 086401 (2004)
M.D. Johannes, I.I. Mazin, C.A. Howells, Phys. Rev. B 73, 205102 (2006)
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Battaglia, C., Cercellier, H., Despont, L. et al. Non-uniform doping across the Fermi surface of NbS2 intercalates. Eur. Phys. J. B 57, 385–390 (2007). https://doi.org/10.1140/epjb/e2007-00188-1
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DOI: https://doi.org/10.1140/epjb/e2007-00188-1