Surface segregation energies in transition-metal alloys (Record no. 46646)

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control field MX-MdCICY
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control field 20250625153853.0
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Transcribing agency CICY
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Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-12439
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Title Surface segregation energies in transition-metal alloys
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Volume/sequential designation Physical Review B, 59(24), p.15990-16000, 1999
520 3# - SUMMARY, ETC.
Summary, etc. We present a database of 24324 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple trends are caused by crystal structure effects.
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Personal name Ruban, A.V.
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Personal name Skriver, H.L.
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Personal name Norskov, J.K.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://drive.google.com/file/d/1cyJ1EadF-p11eR-MSa50cSOesetei-yn/view?usp=drivesdk">https://drive.google.com/file/d/1cyJ1EadF-p11eR-MSa50cSOesetei-yn/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-12439 25.06.2025 25.06.2025 Documentos solicitados