First principles calculations of double ionization energy spectra and two-electron distribution function using T-matrix theory

2007 ◽  
Vol 156-158 ◽  
pp. 155-157 ◽  
Author(s):  
Yoshifumi Noguchi ◽  
Soh Ishii ◽  
Kaoru Ohno

2005 ◽  
Vol 123 (14) ◽  
pp. 144112 ◽  
Author(s):  
Yoshifumi Noguchi ◽  
Yohei Kudo ◽  
Soh Ishii ◽  
Kaoru Ohno


1972 ◽  
Vol 43 (11) ◽  
pp. 4570-4573 ◽  
Author(s):  
Che Jen Chen ◽  
James Wu ◽  
Frank Wu




2016 ◽  
Vol 30 (20) ◽  
pp. 1650257
Author(s):  
Meng Zhao ◽  
Wenjun Wang ◽  
Jun Wang ◽  
Junwei Yang ◽  
Weijie Hu ◽  
...  

Various Be:O-codoped AlN crystals have been investigated via first-principles calculations to evaluate the role of the different combinations in effectively and efficiently inducing p-type carriers. It is found that the O atom is favored to bond with two Be atoms. The formed Be2:O complexes decrease the acceptor ionization energy to 0.11 eV, which is 0.16 eV lower than that of an isolated Be in AlN, implying that the hole concentration could probably be increased by 2–3 orders of magnitude. The electronic structure of Be2:O-codoped AlN shows that the lower ionization energy can be attributed to the interaction between Be and O. The Be–O complexes, despite failing to induce p-type carriers for the mutual compensation of Be and O, introduce new occupied states on the valence-band maximum (VBM) and hence the energy needed for the transition of electrons to the acceptor level is reduced. Thus, the Be2:O codoping method is expected to be an effective and efficient approach to realizing p-type AlN.





2006 ◽  
Vol 13 (7) ◽  
pp. 072108 ◽  
Author(s):  
P. Sandquist ◽  
S. E. Sharapov ◽  
P. Helander ◽  
M. Lisak


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