Improved generalized gradient approximation for positron states in solids
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F14%3A10288312" target="_blank" >RIV/00216208:11320/14:10288312 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.89.155111" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.89.155111</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.89.155111" target="_blank" >10.1103/PhysRevB.89.155111</a>
Alternative languages
Result language
angličtina
Original language name
Improved generalized gradient approximation for positron states in solids
Original language description
Several first-principles calculations of positron-annihilation characteristics in solids have added gradient corrections to the local-density approximation within the theory by Arponen and Pajanne [Ann. Phys. (NY) 121, 343 (1979)] since this theory systematically overestimates the annihilation rates. As a further remedy, we propose to use gradient corrections for other local-density approximation schemes based on perturbed hypernetted chain and on quantum Monte Carlo results. Our calculations for various metals and semiconductors show that the proposed schemes generally improve the positron lifetimes when they are confronted with experiment. We also compare the resulting positron affinities in solids with data from slow-positron measurements.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B - Condensed Matter and Materials Physics
ISSN
1098-0121
e-ISSN
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Volume of the periodical
89
Issue of the periodical within the volume
15
Country of publishing house
US - UNITED STATES
Number of pages
4
Pages from-to
1-14
UT code for WoS article
000334119600001
EID of the result in the Scopus database
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