Participation of d-electrons of metals of groups I, II, and III in chemical bonding with sulphur

Domashevskaya, É. P.; Терехов, В. А.; Marshakova, L. N.; Ugai, Ya. A.; Nefedov, V. I.; Sergushin, N.P.

doi:10.1016/0368-2048(76)80045-x

Cited by 27 publications

(10 citation statements)

References 8 publications

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“…Obviously, the limit of splitting of the 'p-band of a light element in compounds with copper and silver will be determined by the width of the d band of a noble metal in which the light element is solved, because the matrix element of hybridizon between a plane wave function and a d function will depend weakly on this element. This conclusion agrees well with experimental dependences [2]. The s, p states fairly distant from d levels will be shifted, due to the interaction with the latter, according to (8).…”

Section: Thcorysupporting

confidence: 86%

“…Splitting of 8, p band under its intersection by the d level t total d-band width and on the value of the matrix element &, which decreases with increasing localization of interacting states. So it is clear why the value of splitting of the s band in Zn,Pz is less than that of the p band in Cu,P and CUP, [2]. Obviously, the limit of splitting of the 'p-band of a light element in compounds with copper and silver will be determined by the width of the d band of a noble metal in which the light element is solved, because the matrix element of hybridizon between a plane wave function and a d function will depend weakly on this element.…”

Section: Thcorymentioning

confidence: 94%

“…1 are interpreted in accordance with quantum-mechanical calculations of the photoionization cross-sections for XPS and dipole approximation for XRS. The main maximum A of the phosphorus and sulphur LB, 3 spectrum corresponds to the maximum of 3s states density of phosphorus or sulphur. The main maximum B of KO spectra for the same elements in compounds corresponds to the maximum of 3p states density.…”

Section: Experimental Data and D-s P Resonance Modelmentioning

confidence: 99%

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d—s, p Resonance and Electronic Structure of Compounds, Alloys, and Solid Solutions

Domashevskaya

Терехов

1981

Physica Status Solidi (b)

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Section: Thcorysupporting

confidence: 86%

Section: Thcorymentioning

confidence: 94%

Section: Experimental Data and D-s P Resonance Modelmentioning

confidence: 99%

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d—s, p Resonance and Electronic Structure of Compounds, Alloys, and Solid Solutions

Domashevskaya

Терехов

1981

Physica Status Solidi (b)

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“…S K~ XES have been reported for Cu2S by Domashevskaya et al (1976), Sugiura and Gohshi (1981), and for CuS by Nemnonov and Mikhailova (1974) and Sugiura et al (1974). Tossell (1978) presented MO/energy band calculations for CuS 7-, CuS 6-, CuSS-and CuS~-clusters, interpreted the XES and studied the electronic structures of CuS and Cu2S.…”

Section: Introductionmentioning

confidence: 89%

S K- and L-edge XANES and electronic structure of some copper sulfide minerals

Bancroft

Kasrai

et al. 1994

Phys Chem Minerals

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Abstract. The S K-and L-edge x-ray absorption nearedge structures (XANES) of low bornite, cubanite, chalcocite, covellite, enargite and tetrahedrite have been measured with synchrotron radiation. The near-edge features are interpreted based on comparison with the S K-and L-edge spectra of chalcopyrite and a MO/energy band structure model. The XANES spectra of these sulfides reflect the DOS of unoccupied S s-, p-and d-like states near and above the Fermi level. In tetrahedral Cu-Fe sulfides, the Fe 3+ 3d crystal field band has much more significant DOS of unoccupied S 3p-and 3 s-like states than the Cu § 3d crystal field band. For Cu sulfides, the Cu § 3d crystal field band has the higher DOS of S 3p-and 3 s-like states in tetrahedral structure than in structures with the triangular CuS3 cluster. The shifts in both S K-and L-edges correlate approximately linearly with the energy gap.

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“…According to Refs. [12,13], the valence band of the In 2 S 3 is mainly made of S states. This could explain the very weak differences between the In 3d features of two valence band spectra.…”

Section: Structural Characterizations Of the Filmsmentioning

confidence: 99%