Assignment of the surface core-level shifts to the surface layers of Be(101̄0)

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 3, 2004, Pages

  Glans, P A ^a   Johansson, L I ^a   Balasubramanian, T ^b   Blake, R J ^c  

^a LINKÖPING UNIVERSITY   (Sweden)

^b LUND UNIVERSITY   (Sweden)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM;

ARTICLE; BULK DENSITY; CALCULATION; CHEMICAL REACTION; LIGHT ABSORPTION; LIGHT INTENSITY; LIGHT SCATTERING; MOLECULAR INTERACTION; SURFACE PROPERTY;

EID: 45849155778     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.033408     Document Type: Article

References (18)

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11. The code is being written up and will be submitted to Computer Physics Communications for publication in the near future. The code will also be available through the CCP3 library. For further details and access to a beta release version of the code please contact the CCP3 Secretary, Dr. A. Wander, at Daresbury Laboratory. The code is currently being evaluated and validated over a wide range of structures and structural combinations. The original code has been further developed by R. J. Blake.
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13. The Be bulk potential was supplied by the Condensed matter physics theory group at Uppsala University. When using it in the PHOTON2 code it gave the same bulk band structure as previously published by other authors.
14. The Lorentzian width was kept at 0.14 eV and a Gaussian width of 0.015 eV was used since the program would not allow a zero width.
15. The Lorentzian width was kept around 0.10 eV for all components and the Gaussian width was held around 0.20 eV. A different Gaussian width for the bulk component was needed (0.25 eV) for the angle resolved data. The asymmetry parameter was kept between 0.01 and 0.02 for all the components. A polynomial background was used.
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