MARC details
| 000 -LEADER |
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| fixed length control field |
01680nam a2200265Ia 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
MX-MdCICY |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20250625153853.0 |
| 040 ## - CATALOGING SOURCE |
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| Transcribing agency |
CICY |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN) |
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| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) |
B-12435 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
250602s9999 xx |||||s2 |||| ||und|d |
| 245 10 - TITLE STATEMENT |
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| Title |
Calculated surface segregation in transition metal alloys |
| 490 0# - SERIES STATEMENT |
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| Volume/sequential designation |
Computational Materials Science, 15(2), p.119-143, 1999 |
| 520 3# - SUMMARY, ETC. |
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| Summary, etc. |
We outline a combination of numerical techniques which recently has been used to calculate heats of solution, surface energies and segregation energies for a large number of metals and alloys. The basic ingredients are density functional theory, a Green's function approach to the one-electron problem formulated within a linear u_n-tin orbitals basis, the coherent potential approximation corrected for charge transfer e.ects by the screened impurity model, and the atomic sphere approximation corrected for the higher multipoles of the charge density. We discuss the accuracy of the combined numerical technique and present results for the surface segregation of single impurities, the stability of pseudomorphically grown overlayers on Ni, and segregation pro®les in Rh75Pt25. |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
LMTO±GF±CPA METHOD |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
CONNOLLY±WILLIAMS METHOD |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
GENERALIZED PERTURBATION METHOD |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
SURFACE SEGREGATION ENERGIES |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
CONCENTRATION PROFILES |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
TRANSITION METAL ALLOYS |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
RH±PT ALLOYS |
| 700 12 - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Ruban, A.V. |
| 700 12 - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Skriver, H.L. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
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| Uniform Resource Identifier |
<a href="https://drive.google.com/file/d/1rKNg6_1bgvS6rbW-rb-ISxy2S_31VlxN/view?usp=drivesdk">https://drive.google.com/file/d/1rKNg6_1bgvS6rbW-rb-ISxy2S_31VlxN/view?usp=drivesdk</a> |
| Public note |
Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
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| Source of classification or shelving scheme |
Clasificación local |
| Koha item type |
Documentos solicitados |
