/ P. V. Avramov [et al.] // J. Appl. Phys. - 2008. -
Vol. 104,
Is. 5. - Ст. 54305,
DOI 10.1063/1.2973464. - Cited References: 22. - This work was, in part, partially supported by a Core Research for Evolutional Science and Technology (CREST) grant in the area of high performance computing for multi-scale and multiphysics phenomena from the Japan Science and Technology Agency (JST) as well as by the Russian Fund of Basic Researches (Grant No. 05-02-17443) (L.A.C.). One of the authors (P.V.A.) acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute. The geometry of all presented structures was visualized by ChemCraft software. SUP23/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations.
. - ISSN 0021-8979
РУБ Physics, Applied
Аннотация: Motivated by the experimental discovery of branched silicon nanowires, we performed theoretical electronic structure calculations of icosahedral silicon quantum dots embedded into pentagonal silicon nanowires. Using the semiempirical method, we studied the quantum confinement effect in the fully optimized embedded structures. It was found that (a) the band gaps of the embedded structures are closely related to the linear sizes of the longest constituting part rather than to the total linear dimension and (b) the discovered atypical quantum confinement with a plateau and a maximum can be attributed to the substantial interactions of near Fermi level electronic states of the quantum dots and nanowire segments. (c) 2008 American Institute of Physics.
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Держатели документа: [Avramov, Pavel V.] Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
[Sorokin, Pavel B.
Ovchinnikov, Sergei G.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
[Sorokin, Pavel B.
Ovchinnikov, Sergei G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Sorokin, Pavel B.
Chernozatonskii, Leonid A.] RAS, NM Emanuel Inst Biochem Phys, Moscow 119334, Russia
ИФ СО РАН
Fukui Institute for Fundamental Chemistry, Kyoto University, 34-3 Takano Nishihiraki, Sakyo, Kyoto 606-8103, Japan
Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, 305-8568, Japan
L.V. Kirensky Institute of Physics, SB, RAS, 660036 Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny Av., 660041 Krasnoyarsk, Russian Federation
N.M. Emanuel Institute of Biochemical Physics, RAS, 119334 Moscow, Russian Federation
Доп.точки доступа: Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.; Sorokin, P. B.; Chernozatonskii, L. A.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
