-
4
-
-
33749512386
-
-
Korringa, J., Physica, 13, (1947), p.392.
-
(1947)
Physica
, vol.13
, pp. 392
-
-
Korringa, J.1
-
6
-
-
10644250257
-
-
Hohenberg, P., Kohn, W., Phys. Rev. B, 136, (1964), p.864.
-
(1964)
Phys. Rev. B
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
7
-
-
0042113153
-
-
Kohn, W., Sham, L., J. Phys. Rev. A, 140, (1965), p.1133.
-
(1965)
J. Phys. Rev. A
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.2
-
8
-
-
5444237332
-
-
von Barth, U., Hedin, L., J. Phys. C 5, (1972), p. 1629.
-
(1972)
J. Phys. C
, vol.5
, pp. 1629
-
-
Von Barth, U.1
Hedin, L.2
-
9
-
-
25044437775
-
-
Blöchl, P. E., Jepsen, O., Andersen, O. K., Phys. Rev. B 49, (1994), p.16223.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 16223
-
-
Blöchl, P.E.1
Jepsen, O.2
Andersen, O.K.3
-
11
-
-
0003778703
-
-
Krier, C., Jepsen, O. Burkhardt, A. Andersen, O. K., The TB-LMTO-ASA program, version 4.7.
-
The TB-LMTO-ASA Program, Version 4.7
-
-
Krier, C.1
Jepsen, O.2
Burkhardt, A.3
Andersen, O.K.4
-
13
-
-
33845550837
-
-
Hughbanks, T., Hoffmann, R., J. Am. Chem. Soc., 105, (1983) p.3528.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 3528
-
-
Hughbanks, T.1
Hoffmann, R.2
-
15
-
-
0031142719
-
-
Svane, A., Szotek, Z., Temmerman, W. M., Solid. St. Commun., 102, (1997) p.473.
-
(1997)
Solid. St. Commun.
, vol.102
, pp. 473
-
-
Svane, A.1
Szotek, Z.2
Temmerman, W.M.3
-
16
-
-
0031071193
-
-
Osakabe, T., Kohgi, M.Iwasa, K. Nakajima, N. Mignot, J. M.; Goncharenko, I. N. Okayama, Y., Takahashi, H., Mori, N., Haga, Y., Suzuki, T., Phystica B, 230-232, (1997) p.645.
-
(1997)
Phystica B
, vol.230-232
, pp. 645
-
-
Osakabe, T.1
Kohgi, M.2
Iwasa, K.3
Nakajima, N.4
Mignot, J.M.5
Goncharenko, I.N.6
Okayama, Y.7
Takahashi, H.8
Mori, N.9
Haga, Y.10
Suzuki, T.11
-
18
-
-
0040885126
-
-
Bartholin, H., Florence, D., Parisot, C., Paureau, J., Vogt, O., Phys. Lett. 60A (1977), p.47.
-
(1977)
Phys. Lett.
, vol.60 A
, pp. 47
-
-
Bartholin, H.1
Florence, D.2
Parisot, C.3
Paureau, J.4
Vogt, O.5
-
19
-
-
0004362086
-
-
Delin, A., Oppeneer, P. M. Brooks, M. S. S., Kraft, T., Wills, J. M., Johansson, B., Eriksson, O., Phys. Rev. B, 55, (1997) p. 101 73.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 10173
-
-
Delin, A.1
Oppeneer, P.M.2
Brooks, M.S.S.3
Kraft, T.4
Wills, J.M.5
Johansson, B.6
Eriksson, O.7
-
20
-
-
0040343407
-
-
Selte, K., Kjekhus, A., Acta Chem. Scand., 26, (1972) p. 1276.
-
(1972)
Acta Chem. Scand.
, vol.26
, pp. 1276
-
-
Selte, K.1
Kjekhus, A.2
-
21
-
-
0027702144
-
-
Suzuki, K., Morita, H., Kaneko, T., Yoshida, H., Fujimori, H., J. Alloys Compounds, 201, (1993), p.11.
-
(1993)
J. Alloys Compounds
, vol.201
, pp. 11
-
-
Suzuki, K.1
Morita, H.2
Kaneko, T.3
Yoshida, H.4
Fujimori, H.5
-
22
-
-
0342765338
-
-
note
-
The lattice constant used for FeC, 3.96 Å, was obtained by minimizing the total energy of the system as the volume of the unit cell was changed. Changes of as much as 0.1 Å in either direction do not affect the analysis presented here.
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-
-
-
23
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0343199930
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note
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The lattice constant used for FeN/NaCl, 4.00 Å, was obtained by minimizing the spinpolarized total energy with respect to cell volume. The spin-polarized calculation is necessary, as FeN/NaCl is magnetically active (the Fe has 1.3 unpaired electrons in our geometry). Our results agree quite well with previously published theoretical estimates of the lattice constant of FeN/NaCl [24].
-
-
-
-
24
-
-
17144452110
-
-
Shimizu, H., Shirai, M., Suzuki, N., Physica B237-238, (1997), p.546.
-
(1997)
Physica
, vol.B237-238
, pp. 546
-
-
Shimizu, H.1
Shirai, M.2
Suzuki, N.3
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