摘要: The one-electron wave functions for the $d$ band of body-centered iron are examined and found to have significantly different character, depending on their energy location in band. bottom is associated with diffuse functions, while top more compact atomic-like functions. A smooth transition from one behavior other occurs as varied. This gives substantiation recent descriptions metals which been based "low $d$" assignments; here this explained basis that a significant fraction electrons solid do not "look" like atomic at all.
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sci-hub.se 参考文章(15)
Linus Pauling, The Nature of the Interatomic Forces in Metals Physical Review. ,vol. 54, pp. 899- 904 ,(1938) , 10.1103/PHYSREV.54.899
W. M. Lomer, W. Marshall, The electronic structure of the metals of the first transition period Philosophical Magazine. ,vol. 3, pp. 185- 203 ,(1958) , 10.1080/14786435808244405
N. F. Mott, K. W. H. Stevens, The band structure of the transition metals Philosophical Magazine. ,vol. 2, pp. 1364- 1386 ,(1957) , 10.1080/14786435708243213
R. J. WEISS, J. J. DEMARCO, X-Ray Determination of the Number of 3 d Electrons in Cu, Ni, Co, Fe, and Cr Reviews of Modern Physics. ,vol. 30, pp. 59- 62 ,(1958) , 10.1103/REVMODPHYS.30.59
Boris W. Batterman, X-Ray Measurement of The Distribution of Electrons in Iron and Copper Physical Review Letters. ,vol. 2, pp. 47- 48 ,(1959) , 10.1103/PHYSREVLETT.2.47
R. J. Weiss, J. J. De Marco, X-Ray Measurement of the Distribution of Electrons in Iron and Copper Physical Review Letters. ,vol. 2, pp. 148- 149 ,(1959) , 10.1103/PHYSREVLETT.2.148
J. C. Slater, Wave Functions in a Periodic Potential Physical Review. ,vol. 51, pp. 846- 851 ,(1937) , 10.1103/PHYSREV.51.846
Millard F. Manning, Electronic Energy Bands in Body-Centered Iron Physical Review. ,vol. 63, pp. 190- 202 ,(1943) , 10.1103/PHYSREV.63.190
L. P. Bouckaert, R. Smoluchowski, E. Wigner, Theory of Brillouin Zones and Symmetry Properties of Wave Functions in Crystals Physical Review. ,vol. 50, pp. 58- 67 ,(1936) , 10.1103/PHYSREV.50.58
R. H. Parmenter, Electronic Energy Bands in Crystals Physical Review. ,vol. 86, pp. 552- 560 ,(1952) , 10.1103/PHYSREV.86.552