The Tamm surface state on ordered Cu3Au(001)

Löbus, S.; Lau, Markus; Courths, R.; Halilov, S. V.

doi:10.1016/0039-6028(93)91029-o

Cited by 11 publications

(5 citation statements)

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“…A relativistic treatment of photoemission theory is also essential for the analysis of spin-resolved measurements from non-magnetic crystalline solids with circular polarized radiation, which allows in a direct way the classification of symmetry labels in the relativistic bandstructure of metals. This, for example, has been shown by Eyers et al (1985), Oepen et al (1985Oepen et al ( , 1986, , by Heinzmann (1986), Schmiedeskamp et al (1987Schmiedeskamp et al ( , 1989Schmiedeskamp et al ( , 1992, Tamura et al (1989), Vogt et al (1990) and Halilov et al (1993). The fully relativistic one-step theory outlined in the preceding section will be illustrated by spin-resolved calculations for the Ir(111) and Pt(111) surfaces.…”

Section: Application To Ir(111) and Pt(111)mentioning

confidence: 86%

“…Also results have been presented by Jensen and Plummer (1985) and by Kaiser and Inglesfield (1987) for Na, and by Himpsel and Ortega (1992) for Ag and Au. At least, surface states were studied at Cu 3 Au(100) by Himpsel and Ortega (1992) and by Löbus et al (1993). In this section, the one-step model of photoemission combined with an improved treatment of the surface barrier is applied to inverse photoemission from the Cu(110) and Cu(111) surfaces.…”

Section: Application To Cu(110) and Cu(111)mentioning

confidence: 99%

“…Since the relativistic photoemission theory is already well known, even for the space-filling potential case, this subsection will only focus on those aspects that differ from the non-relativistic case. A more detailed derivation of the final expression is given by Halilov et al (1993), Braun and Borstel (1993) and Grass et al (1994).…”

Section: The Spin-density Matrix In the Full-potential Case For Ferro...mentioning

confidence: 99%

“…The details of such a theoretical investigation can be found in section 8. In order to tackle the wide range of relativistic effects, visible in photoemission spectra, relativistic one-step models for pure elemental solids and compounds have been introduced by Thörner and Borstel (1984), Ackermann and Feder (1985), Braun J Braun et al (1985, Braun and Borstel (1993), Ginatempo et al (1989) and Halilov et al (1993). The inclusion of relativistic effects and the extension to several atoms per unit cell have strongly improved the number of applications of photoemission theory.…”

Section: Introductionmentioning

confidence: 99%

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The theory of angle-resolved ultraviolet photoemission and its applications to ordered materials

1996

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The experimental technique of angle-and spin-resolved ultraviolet photoemission has been developed into an important tool for investigating the electronic structure of crystalline materials. Together with the high level in experimental set-up tremendous progress has been achieved in the theoretical description of the photoemission process from solid surfaces. Due to the intensive combination of experimental and theoretical investigations, which has existed for more than 15 years in this area of physical interest, the understanding of the electronic properties of clean and adsorbate-covered surfaces and thin films has grown enormously. This paper reviews the theoretical developments in the field of ultraviolet photoemission. Starting with a brief overview about many-body description of photoemission theory, one-electron models will be introduced with special emphasis on applications. In particular, theoretical aspects like temperature-dependent effects due to phonon excitations, relativistic effects and the influence of strong electron correlations will be discussed, and their importance for quantitative photoemission calculations will be shown by several examples. Furthermore, the review inhibits the modern technique of fullpotential photoemission, which allows a more detailed understanding of complex systems like covalently bonded materials, multilayers and adsorbate-covered surfaces. Finally, the wide range of dichroic effects visible in photoemission experiments will be elucidated in the framework of relativistic photoemission theory.

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Section: Application To Ir(111) and Pt(111)mentioning

confidence: 86%

Section: Application To Cu(110) and Cu(111)mentioning

confidence: 99%

Section: The Spin-density Matrix In the Full-potential Case For Ferro...mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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The theory of angle-resolved ultraviolet photoemission and its applications to ordered materials

1996

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“…7͒ and to a related surface state on Cu 3 Au͑100͒. 8,9 These particular states are split off from the top of the d-band continuum by a tenth of an eV or so. In addition, through comparisons of the dispersions of the surface states with the larger binding energies, Xu and Jordan 1 were able to draw some conclusions about the atomic spacings on the ͑100͒ and ͑001͒ surfaces of CuAu I.…”

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confidence: 99%

Surface states at the (001) surface of CuAuI

Jordan

Guo

1997

Phys. Rev. B

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We report calculations of the electronic structure in the neighborhood of the ͑001͒ surface of CuAuI using the self-consistent-field, linear muffin-tin orbital method within the atomic sphere approximation, with a slab geometry and including the surface dipole terms. We focus our attention on the vicinity of the M point in the surface Brillouin zone and we identify the two ͑Tamm-type͒ surface states reported recently in photoemission measurements. The overall agreement between the theoretically determined dispersions of these states and those observed experimentally is very good and provides strong support for our calculational scheme. We show also that measurements of the surface core level shifts should allow a determination of the termination.

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Electronic band structure of Cu₃Au: An angle‐resolved photoemission study along the [111]‐direction

Lau¹,

Löbus²,

Courths³

et al. 1993

Annalen der Physik

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High-resolution normal photoemission (ARPE) spectra have been recorded for Cu3Au(l 1 I) with the use of polarized synchrotron and rare-gas resonance radiation in the photon energy range from 9 to 27 eV. It is for the first time that dispersions of the gold-like bands have been found experimentally. Using a fully relativistic layer-KKR photoemission formalism, occupied and unoccupied bands as well as one-step-model photoemission spectra have been calculated. The comparison of calculated spectra with experimental ones and the observation of direct-transition resonances upon photon energy near the Brillouin zone-center reveal a shift of the unoccupied ground-state bands by about +2.5 eV (self-energy shift). The direct-transition structures in the experimental spectra have been exploited to determine the dispersions of the occupied bands along the [ 11 I] direction (A line in k space). In order to determine the wave vector of the experimental direct transitions we used as final state that calculated unoccupied band along [ 1 1 I], which also exists in pure copper and gold up to about 20 eV above the Fermi energy ("unfolded" band structure), shifted by + 2.5 eV. The experimental occupied bands with Cu character are in very good agreement with theory after shifting the latter by about 0.3 eV to lower energy, whereas somewhat bigger discrepancies exist for the gold-like bands.

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The Tamm surface state on ordered Cu3Au(001)

Cited by 11 publications

References 28 publications

The theory of angle-resolved ultraviolet photoemission and its applications to ordered materials

The theory of angle-resolved ultraviolet photoemission and its applications to ordered materials

Surface states at the (001) surface of CuAuI

Electronic band structure of Cu₃Au: An angle‐resolved photoemission study along the [111]‐direction

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The Tamm surface state on ordered Cu3Au(001)

Cited by 11 publications

References 28 publications

The theory of angle-resolved ultraviolet photoemission and its applications to ordered materials

The theory of angle-resolved ultraviolet photoemission and its applications to ordered materials

Surface states at the (001) surface of CuAuI

Electronic band structure of Cu3Au: An angle‐resolved photoemission study along the [111]‐direction

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Product

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About

Electronic band structure of Cu₃Au: An angle‐resolved photoemission study along the [111]‐direction