Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

B. Barbiellini; M.J. Puska; T. Korhonen; A. Harju; T. Torsti; R.M. Nieminen

doi:10.1103/PhysRevB.53.16201

Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

B. Barbiellini, M.J. Puska, T. Korhonen, A. Harju, T. Torsti, R.M. Nieminen

Teknillisen fysiikan laitos

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

223 Sitaatiot (Scopus)

215 Lataukset (Pure)

Abstrakti

The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics.

Alkuperäiskieli	Englanti
Sivut	16201-16213
Sivumäärä	13
Julkaisu	Physical Review B (Condensed Matter)
Vuosikerta	53
Numero	24
DOI - pysyväislinkit	https://doi.org/10.1103/PhysRevB.53.16201
Tila	Julkaistu - 15 kesäk. 1996
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Tutkimusalat

positron annihilation

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10.1103/PhysRevB.53.16201

PhysRevB.53.16201Final published version, 152 KB

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title = "Calculation of positron states and annihilation in solids: A density-gradient-correction scheme",

abstract = "The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics. ",

keywords = "positron annihilation, positron annihilation, positron annihilation",

author = "B. Barbiellini and M.J. Puska and T. Korhonen and A. Harju and T. Torsti and R.M. Nieminen",

year = "1996",

month = jun,

day = "15",

doi = "10.1103/PhysRevB.53.16201",

language = "English",

volume = "53",

pages = "16201--16213",

journal = " Physical Review B (Condensed Matter) ",

issn = "0163-1829",

publisher = "American Physical Society",

number = "24",

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TY - JOUR

T1 - Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

AU - Barbiellini, B.

AU - Puska, M.J.

AU - Korhonen, T.

AU - Harju, A.

AU - Torsti, T.

AU - Nieminen, R.M.

PY - 1996/6/15

Y1 - 1996/6/15

N2 - The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics.

AB - The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics.

KW - positron annihilation

U2 - 10.1103/PhysRevB.53.16201

DO - 10.1103/PhysRevB.53.16201

M3 - Article

SN - 0163-1829

VL - 53

SP - 16201

EP - 16213

JO - Physical Review B (Condensed Matter)

JF - Physical Review B (Condensed Matter)

IS - 24

ER -

Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

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