Proc. Int. Conf. Strongly Correlated Electron Systems (SCES2013)
JPS Conf. Proc. 3, 015028 (2014)
http://dx.doi.org/10.7566/JPSCP.3.015028

Polarization-Dependent
Three-Dimensional
Angle-Resolved Photoemission Spectroscopy ofBaFe1.8Co0.2As2
Tetsuya HAJIRI1,2, Takahiro ITO1,3, Masaharu MATSUNAMI2,4, Byeong Hun MIN5,Yong Seung KWON5, Shin-ichi KIMURA2,4,*1

Graduate School of Engineering, Nagoya University, Nagoya 464-8603, JapanUVSOR Facility, Institute for Molecular Science, Okazaki 444-8585, Japan
3
Nagoya University Synchrotron Radiation Research Center, Nagoya University, Nagoya,464-8603, Japan
4
School of Physical Sciences, The Graduate University for Advanced Studies (SOKENDAI),
Okazaki 444-8585, Japan
5
Department of Emerging Materials Science, DGIST, Daegu 711-873, Republic of Korea
2E-mail: hajiri.tetsuya@f.mbox.nagoya-u.ac.jp, kimura@fbs.osaka-u.ac.jp(Received September 29, 2013)
We performed polarization- and photon-energy-dependent angle-resolved photoemission
spectroscopy of a slightly overdoped iron pnictide superconductor, BaFe1.8Co0.2As2, to clarify
the three-dimensional electronic structure including its orbital characters at the Brillouin zonecenter. Two hole Fermi surfaces (FSs) with 𝑑𝑥𝑧/𝑦𝑧 and 𝑑𝑥𝑦/𝑥2 −𝑦2 orbitals were observed but𝑑𝑧 2 hole FS, which has nodes according to a theory of the spin-fluctuation superconductivity
mechanism, did not appear. These results suggest that no node will appear at hole FSs at thezone center.
KEYWORDS: ARPES, polarization-dependent, iron pnictides, spin fluctuation,
orbital character

1.

Introduction

The conduction bands as well as Fermi surfaces (FSs) of iron pnictidesuperconductors are very complex because of their Fe 3d multi-orbital characters inspite that cuprates have only 𝑑𝑥 2 −𝑦2 orbital [1]. In the iron pnictides, thesuperconductivity commonly appears in the vicinity of the antiferromagnetic (AFM)
and/or spin-density-wave (SDW) phase [2]. Actually, NMR studies claimed that ironpnictides have strong spin fluctuation [3], and neutron scattering studies also pointed
out that a magnetic scattering vector of (,,) exists [4]. These results suggest that therelation between superconductivity and spin fluctuation is important. According to atheory of the spin-fluctuation superconductivity mechanism [5,6], in the case that theshape of hole FSs at the Brillouin zone center is similar to that of electron FSs, the spin
* present address: Graduate School of Frontier Biosciences, Osaka University, 1-3 Yamadaoka, Suita,
Osaka 565-0871, Japan■■■015028-1©2014 The Physical Society of Japan

015028-2

JPS Conf. Proc. 3, 015028 (2014)fluctuation would be induced by the FS nesting. Then a fully gapped s±-wave
superconductivity is realized.
BaFe2-xCoxAs2 system is characterized by the strong spin fluctuation with an AFM
wave vector between hole and electron FSs [7,8], which is similar to other ironpnictides. Hence, the origin of the high superconducting transition temperature (Tc) of
this system has been proposed to be due to spin fluctuation as well as SDW. In theunderdoped region of x  0.15, a fully opened superconducting gap has been observed[9]. In the overdoped region of x > 0.15, on the other hand, the partially closed
superconducting gap with nodes on at least one FS has been suggested by using
low-temperature specific heat experiments [10,11] and a heat transport measurement[12]. Therefore the superconducting property in the overdoped region is not the same asthat in the underdoped region. The crossover between nodeless and nodal electronic
structure of BaFe2-xCoxAs2 system informs us the effective interaction of a Cooper pairformation. In particular, the position of nodes provides us important information forunderstanding the superconductivity mechanism of iron pnictide superconductors. One
possibility of the appearance of nodes is undeveloped of the spin fluctuation. The spin
fluctuation can be developed only due to intra-orbital scatterings [13]. If there is nointra-orbital scattering at a FS, the spin fluctuation does not appear, and then the nodes
are induced on an FS without spin fluctuation. For instance, BaFe2As2-xPx system has
𝑑𝑧 2 orbital at only one FS around the Z point, therefore the spin fluctuation cannot
develop at 𝑑𝑧 2 orbital FS and hence the node appears around there [14,15]. These
results suggest the interplay between orbital characters and spin fluctuation plays animportant role in the superconducting property for iron pnictides. To probe the nodes
along the kz direction, it is necessary to investigate the three-dimensional (3D)electronic structure including the orbital characters.
In this paper, we report the electronic structure including the orbital characters ofslightly overdoped BaFe1.8Co0.2As2 using a polarization-dependent 3D angle-resolved
photoemission (3D-ARPES) spectroscopy. We clarify that there are two hole bands at
the zone center of BaFe1.8Co0.2As2 and they show a rigid band shift from those of
optimally-doped BaFe2-xCoxAs2. The orbital characters of the two hole bands are
determined as 𝑑𝑥𝑧/𝑦𝑧 and 𝑑𝑥𝑦/𝑥 2−𝑦2 orbitals, and the 𝑑𝑧 2 orbital does not appear.
Based on the obtained orbital characters, we discuss the possibility of the nodal
superconductivity of BaFe1.8Co0.2As2.
2. Experiment
The 3D-ARPES experiments were performed on single crystals of slightly
overdoped BaFe1.8Co0.2As2 with Tc ~ 22.5 K. ARPES measurements were carried out atthe “SAMRAI” end station of the undulator beamline 7U of UVSOR-II in the Institutefor Molecular Science [16]. In this beamline, two linearly polarized lights parallel toand perpendicular to the mirror plane (namely, P and S polarizations) can be irradiatedto a sample without changing the sample position. The total energy and angularresolutions were set to ~ 10 meV and ~ 0.17°, respectively. All of the measurements
were performed on in-situ cleaved samples at T = 12 K in an ultrahigh vacuum of about
8 × 10−9 Pa. The Fermi level (EF) of samples was calibrated with reference to that ofevaporated gold film.
By using linearly polarized light, the orbital symmetry of electronic states can be■■■015028-3

JPS Conf. Proc. 3, 015028 (2014)

determined using the dipole selection rule. The photoemission intensity is proportional
to the dipole transition probability < f |A•p| i >, where A and p are the vector potential of
the electromagnetic field and the momentum operator, respectively, and | f > and | i > arethe final- and initial-state wave functions, respectively. In the case of normal emission,
since the final state | f > has an even symmetry with respect to the mirror plane [17,18],the nonvanishing condition of the dipole transition < f |A•p| i > is that the initial state | i> must have the same symmetry (even/odd) as the dipole operator A•p. For example, ifA•p is even (odd) corresponding to the P (S) polarization, then the initial states witheven (odd) symmetry should be reflected in the ARPES spectra. In Table I, wesummarize the polarization-dependent sensitivity for the Fe 3d orbitals along the -Mdirection.
Table I. The possibility to detect 3d orbitals along -M high-symmetry directions.

𝑑𝑥𝑦𝑑𝑦𝑧P pol.
S pol.

○𝑑𝑥𝑧

𝑑𝑥2 −𝑦2𝑑𝑧 2○○○○

3. Results & discussion
Since iron pnictides have 3D electronic structure [19-21], it is necessary todetermine the photon energies that correspond to the high-symmetry kz points at thenormal emission by using the following equation:
2𝑚 1⁄2(1)𝑘𝑧 = ( 2 ) [(ℎ − 𝛷 − 𝐸B ) cos 2 𝜃 + 𝑉0 ],ℏ
where 𝑚, ℏ, ℎ, 𝛷, 𝐸B , 𝜃, 𝑉0 are the free electron mass, Planck’s constant, photonenergy, work function, electron binding energy, the emission angle of photoelectrons
from sample’s surface normal direction and inner potential, respectively. Since 𝑉0
depends on material, 𝑉0 and ℎ of the high symmetry kz points should be
experimentally determined using photon-energy-dependent ARPES in the normalemission geometry.
Figures 1(a) and 1(b) show photon-energy-dependent ARPES spectra and its image,respectively, at the normal emission (𝜃 = 0°) by changing the photon energy by 1 eVfrom 16 to 37 eV using S polarized light. The photon-energy dependence is clearlyvisible. The electron band at ℎ ~ 19 eV and the hole band at ℎ ~ 30 eV areobserved. On the basis of Eq. (1), 𝑉0 is experimentally determined as 17.5 eV, and thenℎ = 19 and 30 eV correspond to the  and Z points, respectively.
Figure 2 shows the polarization-dependent in-plane ARPES images near  and Zpoints (ℎ = 20 and 30 eV, respectively) along the -M and Z-A directions. The solid
circles in each panel indicate the band dispersions determined by the peak positions of
the energy-distribution curves (EDCs) and the momentum-distribution curves (MDCs).
There are two hole bands near EF at both the  and Z points. However, only one holeband crosses EF at the  point even though both two hole bands cross EF at the Z point.
The Fermi wavenumber (kF) of the outer hole band at the  point is the same as that at■■■

015028-4

JPS Conf. Proc. 3, 015028 (2014)

Fig. 1. (Color online) (a) Brillouin Zone of BaFe1.8Co0.2As2. Photon-energy-dependent ARPES spectra(b) and its intensity plot (c) of BaFe1.8Co0.2As2 at normal emission. The dashed curves indicate thetraces of peaks.

the Z point, indicating a two-dimensionality of the outer hole FS. On the other hand, theinner hole band has a strong three-dimensionality with a small hole FS only near the Zpoint.
Since the outer hole band is observed in both polarizations and shows atwo-dimensionality, the orbital character can be attributed to the combination of 𝑑𝑥𝑦

Fig. 2. (Color online) Polarization-dependent ARPES images of BaFe1.8Co0.2As2 near the  and Z
points. The left- and right-hand images were obtained using P and S polarized lights, respectively.
The solid circles in each panel are the band dispersions determined by the peak positions of theEDCs and the MDCs in the range from EF to 0.1 eV.

■■■

015028-5

JPS Conf. Proc. 3, 015028 (2014)

and 𝑑𝑥 2−𝑦2 orbitals owing to the selection rule [17, 18] as shown in Table I. On theother hand, the inner hole band is observed in both polarizations and shows athree-dimensionality. So the inner hole band can be attributed to the combination of the𝑑𝑥𝑧 and 𝑑𝑦𝑧 orbitals as shown in Table I. We note that the matrix element of 𝑑𝑧 2
orbital varies differently on photon energy [22], but there is no prominent feature of 𝑑𝑧 2
orbital at several photon energies, so we conclude that there are no hole band with the𝑑𝑧 2 orbital character. The orbital characters of all hole bands are consistent with thoseof optimally-doped BaFe1.5Co0.15As2 [23]. The kFs of observed two hole bands are about
0.6 and 1.4 Å-1, which are smaller than those of optimally-doped BaFe1.5Co0.15As2 [23]and are consistent with the values predicted by a rigid band model [24].
According to the theory of the spin-fluctuation superconductivity mechanism, thesuperconducting-gap structure of 122-system is very sensitive to the existence of the𝑑𝑧 2 orbital [14, 15]. However, here we clearly show that the 𝑑𝑧 2 orbital does not exist
in the hole FS at the zone center of BaFe1.8Co0.2As2. In this slightly over doped system,
a node is expected to exist [10-12]. This result suggests the other possibility of theorigin of nodes. One possibility is that there are nodes in the electron FSs due to an
intraband scattering [25] or an orbital fluctuation [26]. The possibility should bechecked in the next step.
4. Conclusion
We performed the polarization-dependent 3D-ARPES measurements to investigate
the 3D electronic structure of hole bands of a slightly overdoped BaFe1.8Co0.2As2. We
observed the band dispersions with their orbital characters at the  and Z points, andconfirmed there is no 𝑑𝑧 2 orbital on the hole FSs. These results indicate that the nodes
predicted by a theory of the spin-fluctuation superconductivity mechanism don’t appear
in the hole FS of the slightly overdoped system. The other mechanism of an orbital
fluctuation and/or an intraband scattering should be adopted.
Acknowledgment
The authors gratefully acknowledge M. Sakai for his technical assistance during theexperiments. Part of this work was supported by the Use-of-UVSOR Facility Program(BL7U, 2011, 2012) of the Institute for Molecular Science and by a Grant-in-Aid for
Scientific Research (B) from JSPS (Grant No. 22340107). The work at DGIST waspartially supported by Basic Science Research Program (Grant No. 2010-0007487) andLeading Foreign Research Institute Recruitment Program (grant number
2012K1A4A3053565) through the NRF funded by MEST. T.H. was supported by
Research Fellowship for Young Scientists from JSPS.
References[1] Y. Kamihara, T. Watanabe, M. Hirano, and H. Hosono, J. Am. Chem. Soc. 130 (2008) 3296.
[2] I. I. Mazin, Nature 464 (2010) 183.
[3] N. Terasaki1, H. Mukuda, M. Yashima, Y. Kitaoka, K. Miyazawa, P. M. Shirage, H. Kito, H. Eisaki,and A. Iyo, J. Phys. Soc. Jpn. 78 (2009) 013701.

■■■

015028-6

JPS Conf. Proc. 3, 015028 (2014)[4] A. D. Christianson, E. A. Goremychkin, R. Osborn, S. Rosenkranz, M. D. Lumsden, C. D. Malliakas,I. S. Todorov, H. Claus, D. Y. Chung, M. G. Kanatzidis, R. I. Bewley, and T. Guidi, Nature 456(2008) 930.
[5] K. Kuroki, S. Onari, R. Arita, H. Usui, Y. Tanaka, H. Kontani, and H. Aoki, Phys. Rev. Lett. 101(2008) 087004.
[6] I. I. Mazin, D. J. Singh, M. D. Johannes, and M. H. Du, Phys. Rev. Lett. 101 (2008) 057003.
[7] F. L. Ning, K. Ahilan, T. Imai, a. S. Sefat, M. a. McGuire, B. C. Sales, D. Mandrus, P. Cheng, Bing
Shen, and H.-H Wen, Phys. Rev. Lett. 104 (2010) 037001.
[8] M. Lumsden, A. Christianson, D. Parshall, M. Stone, S. Nagler, G. MacDougall, H. Mook, K.
Lokshin, T. Egami, D L Abernathy, E. Goremychkin, R. Osborn, M. McGuire, A. Sefat, R. Jin, B. C.
Sales, and D. Mandrus, Phys. Rev. Lett. 102 (2009) 107005.
[9] L. Luan, O. M. Auslaender, T. M. Lippman, C. W. Hicks, B. Kalisky, J.-H. Chu, J. G. Analytis, I. R.
Fisher, J. R. Kirtley, and K. A. Moler, Phys. Rev. B 81 (2010) 100501(R).
[10] Dong-Jin Jang, A. B. Vorontsov, I. Vekhter, K. Gofryk, Z. Yang, S. Ju, J. B. Hong, J. H. Han, Y. S.
Kwon, F. Ronning, J. D. Thompson, and T. Park, New Journal of Physics 13 (2011) 023036.
[11] J. Kim, B. Faeth, Y. Wang, P. Hirschfeld, G. Stewart, K. Gofryk, F. Ronning, A. Sefat, K. Choi, andK. Kim, Phys. Rev. B 86 (2012) 014513.
[12] J.-Ph. Reid, M. Tanatar, X. Luo, H. Shakeripour, N. Doiron-Leyraud, N. Ni, S. Bud’ko, P. Canfield,
R. Prozorov, and Louis Taillefer, Phys. Rev. B 82 (2010) 064501 (R).
[13] K.Kuroki and H. Aoki, Physica C, 469 (2009) 635.
[14] K. Suzuki, H. Usui, and K. Kuroki, J. Phys. Soc. Jpn. 80 (2011) 013710.
[15] Y. Zhang, Z. R. Ye, Q.Q. Ge, F. Chen, J. Jiang, M. Xu, B. P. Xie, and D. L. Feng, Nature Phys. 8(2012) 371.
[16] S. Kimura, T. Ito, M. Sakai, E. Nakamura, N. Kondo, T. Horigome, K. Hayashi,M. Hosaka, M.
Katoh, T. Goto, T. Ejima, and K. Soda, Rev. Sci. Instrum. 81 (2010) 053104.
[17] S. Hüfner, Photoelectron Spectroscopy (Springer, Berlin, 2003).
[18] R. Matzdorf, Surf. Sci. Rep. 30 (1998) 153.
[19] W. Malaeb, T. Yoshida, A. Fujimori, M. Kubota, K. Ono, K. Kihou, P. M. Shirage, H. Kito, A. Iyo, H.
Eisaki, Y. Nnakajima, T. Tamegai, and R. Arita, J. Phys. Soc. Jpn. 78 (2009) 123706.
[20] T. Yoshida, I. Nishi, S. Ideta, A. Fujimori, M. Kubota, K. Ono, S. Kasahara, T. Shibauchi, T.
Terashima, Y. Matsuda, H. Ikeda, and R. Arita, Phys. Rev. Lett. 106 (2011) 117001.
[21] T. Hajiri, T. Ito, R. Niwa, M. Matsunami, B. H. Min, Y. S. Kwon, and S. Kimura, Phys. Rev. B 85(2012) 094509.
[22] D. L. Feng, C. Kim, H. Eisaki, D. H. Lu, A. Damascelli, K. M. Shen, F. Ronning, N. P. Armitage, N.
Kaneko, M. Greven, J.-i. Shimoyama, K. Kishio, R. Yoshizaki, G. D. Gu, and Z. X. Shen, Phys.
Rev .B 65 (2002) 220501(R).
[23] Y. Zhang, F. Chen, C. He, B. Zhou, B. P. Xie, C. Fang, W. F. Tsai, X. H. Chen, H. Hayashi, J. Jiang, H.
Iwasawa, K. Shimada, H. Namatame, M. Taniguchi, J. P. Hu, and D. L. Feng, Phys. Rev. B 83 (2011)054510.
[24] V. Brouet, M. Marsi, B. Mansart, A. Nicolaou, A. Taleb-Ibrahimi, P. Le Fèvre, F. Bertran, F.
Rullier-Albenque, A. Forget, and D. Colson, Phys. Rev. B 80 (2009) 165115.
[25] K. Kuroki, H. Usui, S. Onari, R. Arita, and H. Aoki, Phys. Rev. B 79 (2009) 224511.
[26] H. Kontani, Y. Inoue, T. Saito, Y. Yamakawa, and S. Onari, Solid State Commun. 152 (2012) 718.

■■■