-
1
-
-
0024931085
-
-
W. Jeitschko, M. H. Gerss, R. D. Hoffmann, St. Lee, J. LessCommon Met. 1989, 156, 397.
-
(1989)
J. LessCommon Met.
, vol.156
, pp. 397
-
-
Jeitschko, W.1
Gerss, M.H.2
Hoffmann, R.D.3
Lee, St.4
-
2
-
-
0010803338
-
-
a) A. O. Pecharskaya, E. P. Marusin, O. I. Bodak, M. D. Mazus, Sov. Phys. Crystallogr. 1990, 35, 25;
-
(1990)
Sov. Phys. Crystallogr.
, vol.35
, pp. 25
-
-
Pecharskaya, A.O.1
Marusin, E.P.2
Bodak, O.I.3
Mazus, M.D.4
-
3
-
-
0003722465
-
-
(Eds.: K. A. Gschneidner, Jr., L. Eyring), Elsevier, Amsterdam, chap. 69.
-
b) G.-Y. Adachi, N. Imanaka, Z. Fuzhong in Handbook on the Physics and Chemistry of Rare Earths, Vol.15 (Eds.: K. A. Gschneidner, Jr., L. Eyring), Elsevier, Amsterdam, 1991, chap. 69.
-
(1991)
Handbook on the Physics and Chemistry of Rare Earths
, vol.15
-
-
Adachi, G.-Y.1
Imanaka, N.2
Fuzhong, Z.3
-
4
-
-
33846633609
-
-
E. Dashjav, G. Kreiner, W. Schnelle, F. R. Wagner, R. Kniep, W. Jeitschko, J. Solid State Chem. 2007, 180, 636.
-
(2007)
J. Solid State Chem.
, vol.180
, pp. 636
-
-
Dashjav, E.1
Kreiner, G.2
Schnelle, W.3
Wagner, F.R.4
Kniep, R.5
Jeitschko, W.6
-
5
-
-
34547698922
-
-
a) B. Rohrmoser, G. Eickerling, M. Presnitz, W. Scherer, V. Eyert, R.-D. Hoffmann, U. C. Rodewald, C. Vogt, R. Pöttgen, J. Am. Chem. Soc 2007, 129, 9356;
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 9356
-
-
Rohrmoser, B.1
Eickerling, G.2
Presnitz, M.3
Scherer, W.4
Eyert, V.5
Hoffmann, R.-D.6
Rodewald, U.C.7
Vogt, C.8
Pöttgen, R.9
-
6
-
-
67650462636
-
-
b) C. Vogt, R.-D. Hoffmann, U. C. Rodewald, G. Eickerling, M. Presnitz, V. Eyert, W. Scherer, R. Pöttgen, Inorg. Chem. 2009, 48, 6436.
-
(2009)
Inorg. Chem.
, vol.48
, pp. 6436
-
-
Vogt, C.1
Hoffmann, R.-D.2
Rodewald, U.C.3
Eickerling, G.4
Presnitz, M.5
Eyert, V.6
Scherer, W.7
Pöttgen, R.8
-
9
-
-
0000306718
-
-
c) R. Hoffmann, J. Li, R. A. Wheeler, J. Am. Chem. Soc. 1987, 109, 6600.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 6600
-
-
Hoffmann, R.1
Li, J.2
Wheeler, R.A.3
-
12
-
-
0035849025
-
-
a) K. Suzuki, T. Murayama, M. Eguchi, J. Alloys Compd. 2001, 317-318, 306;
-
(2001)
J. Alloys Compd.
, vol.317-318
, pp. 306
-
-
Suzuki, K.1
Murayama, T.2
Eguchi, M.3
-
14
-
-
61349185179
-
-
a) S. Shimomura, C. Hayashi, G. Asaka, N. Wakabayashi, M. Mizumaki, H. Onodera, Phys. Rev. Lett. 2009, 102, 076404;
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 076404
-
-
Shimomura, S.1
Hayashi, C.2
Asaka, G.3
Wakabayashi, N.4
Mizumaki, M.5
Onodera, H.6
-
15
-
-
70350655604
-
-
b) J. Laverock, T. D. Hynes, C. Utfeld, S. B. Dugdale, Phys Rev. B. 2009, 80, 125111;
-
(2009)
Phys Rev. B.
, vol.80
, pp. 125111
-
-
Laverock, J.1
Hynes, T.D.2
Utfeld, C.3
Dugdale, S.B.4
-
17
-
-
0031141770
-
-
d) W. H. Lee, H. K. Zheng, Y. Y. Chen, Y. D. Yao, J. C. Ho, Solid State Commun. 1997, 102, 433;
-
(1997)
Solid State Commun.
, vol.102
, pp. 433
-
-
Lee, W.H.1
Zheng, H.K.2
Chen, Y.Y.3
Yao, Y.D.4
Ho, J.C.5
-
18
-
-
63749095740
-
-
e) A. D. Hillier, J. Quintanilla, R. Cywinski, Phys. Rev. Lett. 2009,102, 117007;
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 117007
-
-
Hillier, A.D.1
Quintanilla, J.2
Cywinski, R.3
-
20
-
-
0023416616
-
-
a) M. H. Gerss, W Jeitschko, L. Boonk, J. Nientiedt, J. Grobe, J. Solid State Chem. 1987, 70, 19;
-
(1987)
J. Solid State Chem.
, vol.70
, pp. 19
-
-
Gerss, M.H.1
Jeitschko, W.2
Boonk, L.3
Nientiedt, J.4
Grobe, J.5
-
21
-
-
0000677745
-
-
b) T. Gulden, W Henn, O. Jepsen, R. K. Kremer, W. Schnelle, A. Simon, C. Felser, Phys. Rev. B 1997, 56, 9021;
-
(1997)
Phys. Rev. B
, vol.56
, pp. 9021
-
-
Gulden, T.1
Henn, W.2
Jepsen, O.3
Kremer, R.K.4
Schnelle, W.5
Simon, A.6
Felser, C.7
-
24
-
-
0003260374
-
-
note
-
-3. For further information see Supporting Information,
-
(1992)
J. Solid State Chem.
, vol.99
, pp. 134
-
-
-
25
-
-
77649139968
-
-
-1, 42 parameters, goodness of fit 1.30, R1(I > 2σ) = 0.049, wR2(all data) = 0.129. For further information see the Supporting Information. CCDC 7461.86 (3, 293 K) and 752257 (2, 9K) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via
-
-1, 42 parameters, goodness of fit 1.30, R1(I > 2σ) = 0.049, wR2(all data) = 0.129. For further information see the Supporting Information. CCDC 7461.86 (3, 293 K) and 752257 (2, 9K) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data-request/cif
-
-
-
-
27
-
-
77649172322
-
-
XD2006 (version 5.42)-a computer program for multipole refinement, topological analysis of charge densities and evaluation of intermolecular energies from experimental or theoretical structure factors; A. Volkov, P. Macchi, L. J. Farrugia, C Gatti, P. Mallinson, T. Richter, T. Koritsanszky, 2006
-
b) XD2006 (version 5.42)-a computer program for multipole refinement, topological analysis of charge densities and evaluation of intermolecular energies from experimental or theoretical structure factors; A. Volkov, P. Macchi, L. J. Farrugia, C Gatti, P. Mallinson, T. Richter, T. Koritsanszky, 2006;
-
-
-
-
30
-
-
0003417617
-
-
For analyses of the topology of theoretical charge-density distributions the WIEN2k and ASW programs were employed. The calculated charge densities were obtained using the gradient corrected density functional of Perdew, Burke and Ernzerhof (PBE). For the Wien2k calculations an augmented plane wave basis set with additional local orbitais (APW+ lo) was employed; a Technische Universität Wien
-
For analyses of the topology of theoretical charge-density distributions the WIEN2k and ASW programs were employed. The calculated charge densities were obtained using the gradient corrected density functional of Perdew, Burke and Ernzerhof (PBE). For the Wien2k calculations an augmented plane wave basis set with additional local orbitais (APW+ lo) was employed; a) K. Schwarz, P. Blaha, G. Madsen, D. Kvasnicka, J. Luitz, WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, Technische Universität Wien, 2003;
-
(2003)
WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties
-
-
Schwarz, K.1
Blaha, P.2
Madsen, G.3
Kvasnicka, D.4
Luitz, J.5
-
32
-
-
4243943295
-
-
c) J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865;
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, P.1
Burke, K.2
Ernzerhof, M.3
-
33
-
-
4944232881
-
-
d) J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1997, 78,1396.
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 1396
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
34
-
-
77649084192
-
-
-l with respect to the value given by spin-averaged calculations. Taking into account the high density of states at the Fermi level this might hint for the presence of a weak-band ferromagnetic instability through the Stoner Mechanism as proposed for YCoC (see Ref. [7b]). This theoretical prediction is not supported by our magnetic measurements (1.7-400 K) yet and warrants further exploration by low-temperature studies.
-
-l with respect to the value given by spin-averaged calculations. Taking into account the high density of states at the Fermi level this might hint for the presence of a weak-band ferromagnetic instability through the Stoner Mechanism as proposed for YCoC (see Ref. [7b]). This theoretical prediction is not supported by our magnetic measurements (1.7-400 K) yet and warrants further exploration by low-temperature studies.
-
-
-
-
35
-
-
77649155859
-
-
2.
-
2.
-
-
-
-
36
-
-
77649164963
-
-
In our DFT calculations employing the WIEN2k or the ASW program (see Supporting Information and ref. [12]) we find consistently significantly lower y values for 1 in comparison with the experimental value derived from specific-heat measurements according to ref. [14].
-
In our DFT calculations employing the WIEN2k or the ASW program (see Supporting Information and ref. [12]) we find consistently significantly lower y values for 1 in comparison with the experimental value derived from specific-heat measurements according to ref. [14].
-
-
-
-
37
-
-
23044510949
-
-
a) C. Vogt, R.-D, Hoffmann, R. Pöttgen, Solid State Sci. 2005, 7, 1003;
-
(2005)
Solid State Sci.
, vol.7
, pp. 1003
-
-
Vogt, C.1
Hoffmann, R.-D.2
Pöttgen, R.3
-
38
-
-
77649157438
-
-
The increase in the ρ(T) values during heating above the structural phase transition is mainly caused by stress induced in the sample during the "translationsgleiche" phase transition of index t2, allowing twinning by pseudo-merohedry due to a change of the crystal system from, orthorhombic to monoclinic. This is clearly monitored in our diffraction study by an additional splitting of the Bragg reflections.
-
b)The increase in the ρ(T) values during heating above the structural phase transition is mainly caused by stress induced in the sample during the "translationsgleiche" phase transition of index t2, allowing twinning by pseudo-merohedry due to a change of the crystal system from, orthorhombic to monoclinic. This is clearly monitored in our diffraction study by an additional splitting of the Bragg reflections.
-
-
-
-
41
-
-
77649100165
-
-
-1 contributes to the superconductivity in 2. Therefore, the bulk superconductivity may be related solely to small areas of the Fermi surface.
-
-1 contributes to the superconductivity in 2. Therefore, the bulk superconductivity may be related solely to small areas of the Fermi surface.
-
-
-
|