348
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97. V.V. Maslyuk, A. Bagrets, V. Meded, A. Arnold, F. Evers, M. Brandbyge, T. Bredow, I. Mertig, Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet.
Phys. Rev. Lett. 97, 097201-1–097201-4 (2006)
98. Y. Mokrousov, N. Atodiresei, G. Bihlmayer, S. Heinze, S. Blügel, The interplay of structure and spin-orbit strength in the magnetism of metal-benzene sandwiches: From single
molecules to infinite wires. Nanotechnology 18, 495402-1–495402-12 (2007)
99. H. Weng, T. Ozaki, K. Terakura, Theoretical analysis of magnetic coupling in sandwich
clusters V n (C 6 H 6 ) n+1 . J. Phys. Soc. Jpn. 77, 014301-1–014301-9 (2007)
100. L. Shen, S.-W. Yang, M.-F. Ng, V. Ligatchev, L. Zhou, Y. Feng, Charge-transfer-based mechanism for half-metallicity and ferromagnetism in one-dimensional organometallic sandwich
molecular wires. J. Am. Chem. Soc. 130, 13956–13960 (2008)
101. L. Zhou, S.-W. Yang, M.-F. Ng, M.B. Sullivan, V.B.C. Tan, L. Shen, One-dimensional
iron−cyclopentadienyl sandwich molecular wire with half metallic, negative differential
resistance and high-spin filter efficiency properties. J. Am. Chem. Soc. 130, 4023–4027
(2008)
102. L. Wang, Z. Cai, J. Wang, J. Lu, G. Luo, L. Lai, J. Zhou, R. Qin, Z. Gao, D.
Yu, G. Li, W.N. Mei, S. Sanvito, Novel one-dimensional organometallic half metals:
Vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene
wires. Nano Lett. 8, 3640–3644 (2008)
103. X. Zhang, M.-F. Ng, Y. Wang, J. Wang, S.-W. Yang, Theoretical studies on structural,
magnetic, and spintronic characteristics of sandwiched Eu n COT n+1 (n = 1-4) clusters. ACS
Nano 3, 2515–2522 (2009)
104. X. Zhang, Z. Tian, S.-W. Yang, J. Wang, Magnetic manipulation and half-metal prediction of
one-dimensional bimetallic organic sandwich molecular wires [CpTM 1 CpTM 2 ] ∞ (TM 1 =
Ti, Cr, Fe; TM 2 = Sc−Co). J. Phys. Chem. C 115, 2948–2953 (2011)
105. X. Zhang, J. Han, Y. Liu, J. Wang, Structural, electronic, and magnetic properties of onedimensional organic bimetal-naphthalene sandwich nanowires. J. Phys. Chem. C 116, 5414–
5419 (2012)
106. L. Horváthová, M. Dubecký, L. Mitas, I. Štich, Spin multiplicity and symmetry breaking in
vanadium-benzene complexes. Phys. Rev. Lett. 109, 053001-1–053001-5 (2012)
107. K.P. Kepp, Consistent descriptions of metal–ligand bonds and spin-crossover in inorganic
chemistry. Coord. Chem. Rev. 257, 196–209 (2013)
108. M. Kepenekian, J.-P. Gauyacq, N. Lorente, Difficulties in the ab initio description of electron
transport through spin filters. J. Phys. Condens. Matter 26, 104203-1–104203-8 (2014)
109. L. Horváthová, R. Derian, L. Mitas, I. Štich, Quantum Monte Carlo study of one-dimensional
transition-metal organometallic cluster systems and their suitability as spin filter. Phys. Rev.
B Condens. Matter 90, 115414-1–115414-5 (2014)
110. K. Miyajima, K. Muraoka, M. Hashimoto, T. Yasuike, S. Yabushita, A. Nakajima, K. Kaya,
Quasi-band electronic structure of V n (benzene) n+1 clusters. J. Phys. Chem. A 106, 10777–
10781 (2002)
111. T. Yasuike, S. Yabushita, Ionization energies and bonding scheme of multiple-decker
sandwich clusters: M n (C 6 H 6 ) n+1 . J. Phys. Chem. A 103, 4533–4542 (1999)
112. M.R. Zakin, D.M. Cox, R.O. Brickman, A. Kaldor, Benzene C-D bond activation by free
vanadium cluster cations. J. Phys. Chem. 93, 6823–6827 (1989)
113. T. Masubuchi, K. Ohi, T. Iwasa, A. Nakajima, Experimental and theoretical studies on the
electronic properties of vanadium-benzene sandwich cluster anions, V n Bz n+1
− (n = 1-5). J.
Chem. Phys. 137, 224305-1–224305-9 (2012)
114. U. Even, J. Jortner, D. Noy, N. Lavie, C. Cossart-Magos, Cooling of large molecules below 1
K and He clusters formation. J. Chem. Phys. 112, 8068–8071 (2000)
115. T. Masubuchi, T. Iwasa, A. Nakajima, Experimental and theoretical studies of the structural
and electronic properties of vanadium–benzene sandwich clusters and their anions: V n Bz n
0/−
(n = 1–5) and V n Bz n-1
0/− (n = 2–5). J. Chem. Phys. 141, 214304-1–214304-8 (2014)
116. T. Masubuchi, T. Iwasa, A. Nakajima, Multiple-decker and ring sandwich formation of
manganese–benzene organometallic cluster anions: Mn n Bz n
− (n = 1–5 and 18). Phys. Chem.
Chem. Phys. 18, 26049–26056 (2016)
T. Masubuchi and A. Nakajima
97. V.V. Maslyuk, A. Bagrets, V. Meded, A. Arnold, F. Evers, M. Brandbyge, T. Bredow, I. Mertig, Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet.
Phys. Rev. Lett. 97, 097201-1–097201-4 (2006)
98. Y. Mokrousov, N. Atodiresei, G. Bihlmayer, S. Heinze, S. Blügel, The interplay of structure and spin-orbit strength in the magnetism of metal-benzene sandwiches: From single
molecules to infinite wires. Nanotechnology 18, 495402-1–495402-12 (2007)
99. H. Weng, T. Ozaki, K. Terakura, Theoretical analysis of magnetic coupling in sandwich
clusters V n (C 6 H 6 ) n+1 . J. Phys. Soc. Jpn. 77, 014301-1–014301-9 (2007)
100. L. Shen, S.-W. Yang, M.-F. Ng, V. Ligatchev, L. Zhou, Y. Feng, Charge-transfer-based mechanism for half-metallicity and ferromagnetism in one-dimensional organometallic sandwich
molecular wires. J. Am. Chem. Soc. 130, 13956–13960 (2008)
101. L. Zhou, S.-W. Yang, M.-F. Ng, M.B. Sullivan, V.B.C. Tan, L. Shen, One-dimensional
iron−cyclopentadienyl sandwich molecular wire with half metallic, negative differential
resistance and high-spin filter efficiency properties. J. Am. Chem. Soc. 130, 4023–4027
(2008)
102. L. Wang, Z. Cai, J. Wang, J. Lu, G. Luo, L. Lai, J. Zhou, R. Qin, Z. Gao, D.
Yu, G. Li, W.N. Mei, S. Sanvito, Novel one-dimensional organometallic half metals:
Vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene
wires. Nano Lett. 8, 3640–3644 (2008)
103. X. Zhang, M.-F. Ng, Y. Wang, J. Wang, S.-W. Yang, Theoretical studies on structural,
magnetic, and spintronic characteristics of sandwiched Eu n COT n+1 (n = 1-4) clusters. ACS
Nano 3, 2515–2522 (2009)
104. X. Zhang, Z. Tian, S.-W. Yang, J. Wang, Magnetic manipulation and half-metal prediction of
one-dimensional bimetallic organic sandwich molecular wires [CpTM 1 CpTM 2 ] ∞ (TM 1 =
Ti, Cr, Fe; TM 2 = Sc−Co). J. Phys. Chem. C 115, 2948–2953 (2011)
105. X. Zhang, J. Han, Y. Liu, J. Wang, Structural, electronic, and magnetic properties of onedimensional organic bimetal-naphthalene sandwich nanowires. J. Phys. Chem. C 116, 5414–
5419 (2012)
106. L. Horváthová, M. Dubecký, L. Mitas, I. Štich, Spin multiplicity and symmetry breaking in
vanadium-benzene complexes. Phys. Rev. Lett. 109, 053001-1–053001-5 (2012)
107. K.P. Kepp, Consistent descriptions of metal–ligand bonds and spin-crossover in inorganic
chemistry. Coord. Chem. Rev. 257, 196–209 (2013)
108. M. Kepenekian, J.-P. Gauyacq, N. Lorente, Difficulties in the ab initio description of electron
transport through spin filters. J. Phys. Condens. Matter 26, 104203-1–104203-8 (2014)
109. L. Horváthová, R. Derian, L. Mitas, I. Štich, Quantum Monte Carlo study of one-dimensional
transition-metal organometallic cluster systems and their suitability as spin filter. Phys. Rev.
B Condens. Matter 90, 115414-1–115414-5 (2014)
110. K. Miyajima, K. Muraoka, M. Hashimoto, T. Yasuike, S. Yabushita, A. Nakajima, K. Kaya,
Quasi-band electronic structure of V n (benzene) n+1 clusters. J. Phys. Chem. A 106, 10777–
10781 (2002)
111. T. Yasuike, S. Yabushita, Ionization energies and bonding scheme of multiple-decker
sandwich clusters: M n (C 6 H 6 ) n+1 . J. Phys. Chem. A 103, 4533–4542 (1999)
112. M.R. Zakin, D.M. Cox, R.O. Brickman, A. Kaldor, Benzene C-D bond activation by free
vanadium cluster cations. J. Phys. Chem. 93, 6823–6827 (1989)
113. T. Masubuchi, K. Ohi, T. Iwasa, A. Nakajima, Experimental and theoretical studies on the
electronic properties of vanadium-benzene sandwich cluster anions, V n Bz n+1
− (n = 1-5). J.
Chem. Phys. 137, 224305-1–224305-9 (2012)
114. U. Even, J. Jortner, D. Noy, N. Lavie, C. Cossart-Magos, Cooling of large molecules below 1
K and He clusters formation. J. Chem. Phys. 112, 8068–8071 (2000)
115. T. Masubuchi, T. Iwasa, A. Nakajima, Experimental and theoretical studies of the structural
and electronic properties of vanadium–benzene sandwich clusters and their anions: V n Bz n
0/−
(n = 1–5) and V n Bz n-1
0/− (n = 2–5). J. Chem. Phys. 141, 214304-1–214304-8 (2014)
116. T. Masubuchi, T. Iwasa, A. Nakajima, Multiple-decker and ring sandwich formation of
manganese–benzene organometallic cluster anions: Mn n Bz n
− (n = 1–5 and 18). Phys. Chem.
Chem. Phys. 18, 26049–26056 (2016)