Please wait a minute...
Chin. Phys. B, 2010, Vol. 19(11): 117802    DOI: 10.1088/1674-1056/19/11/117802
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

Self-consistent field method and non-self-consistent field method for calculating the positron lifetime

Zhang Jie(张杰), Liu Jian-Dang(刘建党),Chen Xiang-Lei(陈祥磊), and Ye Bang-Jiao(叶邦角)
Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China
Abstract  Many methods are used to calculate the positron lifetime, these methods could be divided into two main types. The first method is atomic superposition approximation method and the second one is the so called energy band calculation method. They are also known as the non-self-consistent field method and self-consistent field method respectively. In this paper, we first introduce the two basic methods and then, we take Si as an example and give our calculation results, these results coincide with our latest experimental results, finally, we discuss the advantages and disadvantages of the two methods.
Keywords:  positron lifetime      atomic superposition approzimetion method      pseudopotential method  
Received:  24 January 2010      Revised:  11 May 2010      Accepted manuscript online: 
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  78.70.Bj (Positron annihilation)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10675115) and the Important Direction Project of the Chinese Academy of Sciences.

Cite this article: 

Zhang Jie(张杰), Liu Jian-Dang(刘建党),Chen Xiang-Lei(陈祥磊), and Ye Bang-Jiao(叶邦角) Self-consistent field method and non-self-consistent field method for calculating the positron lifetime 2010 Chin. Phys. B 19 117802

[1] Dannefaer S, Mascher P and Kerr D 1986 Phys. Rev. Lett. 56 2195
[2] Saarinen K, Laine T, Kuisma S, Nissila J, Hautojarvi P, Dobrzynski L, Baranowski J M, Pakula K, Stepniewski R, Wojdak M, Wysmolek A, Suski T, Leszczynski M, Grzegory I and Porowski S 1997 Phys. Rev. Lett 79 3030
[3] Gebauer J, Krause R R, Domke C, Ebert P and Urban K 1997 it Phys. Rev. Lett. 78 3334
[4] Krause R, Saarinen K, Hautojarvi P, Polity A, Gartner G and Corbel C 1990 Phys. Rev. Lett. 65 3329
[5] Puska M J and Nieminen R M 1994 Rev. Mod. Phys. 66 841
[6] Puska M J and Nieminen R M 1983 J. Phys. F: Met. Phys. bf 13 333
[7] Campillo J M, Ogando E and Plazaola F 2007 J. Phys.: Condens. Matter 19 176222
[8] Makkonen I, Hakala M and Puska M J 2006 Phys. Rev. B bf 73 035103
[9] Alatalo M, Barbiellini B, Hakala M, Kauppinen H, Korhonen T, Puska M J, Saarinen K, Hautojarvi P and Nieminen R M 1996 Phys. Rev. B 54 2397
[10] Puska M J, Makinen S, Manninen M and Nieminen R M 1989 it Phys. Rev. B 39 7666
[11] Boev O V, Puska M J and Nieminen R M 1987 Phys. Rev. B 36 7786
[12] Ghosh V J, Alatalo M, Asoka K P, Nielsen B, Lynn K G, Kruseman A C and Mijnarends P E 2000 Phys. Rev. B 61 10092
[13] Kontrym S G, Samsel C M, Biasini M and Kubo Y 2004 Phys. Rev. B 70 125103
[14] Benosman N, Amrane N, Mecabih S and Aourag H 2000 it Mater. Chem. Phys. 61 1727
[15] Amrane N 2009 Mater. Chem. Phys. 114 283
[16] Chen X L, Xi C Y, Ye B J and Weng H M 2007 Acta Phys. Sin. bf56 6695 (in Chinese)
[17] Chen X L, Kong W, Weng H M and Ye B J 2008 Acta Phys. Sin. bf57 3271 (in Chinese)
[18] Tang Z, Hasegawa M, Nagai Y, Saito M and Kawazoe Y 2002 it Phys. Rev. B 65 045108
[19] Sterne P A and Kaiser J H 1991 Phys. Rev. B 43 13892
[20] Daniuk S, Sob M and Rubaszek A 1991 Phys. Rev. B 43 2580
[21] Rubaszek A, Szotek Z and Temmerman W M 1998 Phys. Rev. B 58 11285
[22] Rubaszek A, Szotek Z and Temmerman W M 2000 Phys. Rev. B 61 10100
[23] Barbiellini B, Puska M J, Torsti T and Nieminen R M 1995 it Phys. Rev. B 11 7341
[24] Puska M J and Corbel C 1988 Phys. Rev. B 38 9874
[25] Hubbard C R, Swanson H E and Mauer F A 1975 J. Appl. Crystallogr. 8 45
[26] Puska M J, Makinen S, Manninen M and Nieminen R M 1989 it Phys. Rev. B 39 7666
[1] Exploring positron characteristics utilizing two new positron-electron correlation schemes based on multiple electronic structure calculation methods
Zhang Wen-Shuai (张文帅), Gu Bing-Chuan (谷冰川), Han Xiao-Xi (韩小溪), Liu Jian-Dang (刘建党), Ye Bang-Jiao (叶邦角). Chin. Phys. B, 2015, 24(10): 107804.
[2] Application of artificial neural networks to the inversion of positron lifetime spectrum
An Ran (安然), Zhang Jie (张杰), Kong Wei (孔伟), Ye Bang-Jiao (叶邦角 ). Chin. Phys. B, 2012, 21(11): 117803.
[3] The effects of fast neutron irradiation on oxygen in Czochralski silicon
Chen Gui-Feng(陈贵锋), Yan Wen-Bo(阎文博), Chen Hong-Jian(陈洪建), Li Xing-Hua(李兴华), and Li Yang-Xian(李养贤). Chin. Phys. B, 2009, 18(1): 293-297.
[4] First principles study on the charge density and the bulk modulus of the transition metals and their carbides and nitrides
Li Cheng-Bin (李承斌), Li Ming-Kai (黎明锴), Yin Dong (尹东), Liu Fu-Qing (刘福庆), Fan Xiang-Jun (范湘军). Chin. Phys. B, 2005, 14(11): 2287-2292.
No Suggested Reading articles found!