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Quantum dots embedded into silicon nanowires effectively partition electron confinement / 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
Рубрики:
OPTICAL-PROPERTIES
   POROUS SILICON
   WIRES
   PREDICTION
   GROWTH
Кл.слова (ненормированные):
Electric currents -- Electric wire -- Electronic states -- Electronic structure -- Nanostructured materials -- Nanostructures -- Nanowires -- Nonmetals -- Optical waveguides -- Plasma confinement -- Quantum confinement -- Quantum electronics -- Semiconducting silicon compounds -- Silicon -- electronic state -- Band gaps -- Electron confinements -- Electronic-structure calculations -- Embedded structures -- Quantum confinement effect -- Quantum dots -- Semi-empirical methods -- Silicon nanowires -- Silicon quantum dots -- Semiconductor quantum dots
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
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Gorban, A.
Codon usage trajectories and 7-cluster structure of 143 complete bacterial genornic sequences / A. . Gorban, T. . Popova, A. . Zinovyev // Physica A. - 2005. - Vol. 353. - P. 365-387, DOI 10.1016/j.physa.2005.01.043. - Cited References: 46 . - ISSN 0378-4371

РУБ Physics, Multidisciplinary
Рубрики:
DNA-BASE COMPOSITION
   ASYMMETRIC SUBSTITUTION PATTERNS
   PROTEIN-CODING REGIONS
   MICROBIAL GENOMES
   GENE IDENTIFICATION
   MARKOV-MODELS
   G+C CONTENT
   BIAS
   PREDICTION
   SELECTION
Кл.слова (ненормированные):
genome -- cluster -- codon usage -- correlations -- entropy -- mean field -- Cluster -- Codon usage -- Correlations -- Entropy -- Genome -- Mean field -- Approximation theory -- Correlation methods -- Database systems -- Entropy -- Functions -- Genes -- Mathematical models -- Clusters -- Codon usage -- Genomes -- Mean field -- Bacteria
Аннотация: Three results are presented. First, we prove the existence of a universal 7-cluster structure in all 143 completely sequenced bacterial genomes available in Genbank in August 2004, and explained its properties. The 7-cluster structure is responsible for the main part of sequence heterogeneity in bacterial genomes. In this sense, our 7 clusters is the basic model of bacterial genome sequence. We demonstrated that there are four basic "pure" types of this model, observed in nature: "parallel triangles", "perpendicular triangles", degenerated case and the flower-like type. Second, we answered the question: how big are the position-specific information and the contribution connected with correlations between nucleotide. The accuracy of the mean-field (context-free) approximation is estimated for bacterial genomes. We show that codon us-age of bacterial genomes is a multi-linear function of their genomic G+C-content with high accuracy (more precisely, by two similar functions, one for eubacterial genomes and the other one for archaea). Description of these two codon-usage trajectories is the third result. All 143 cluster animated 3D-scatters are collected in a database and is made available on our web-site: http://www.ihes.fr/similar to zinovyev/7clusters. (c) 2005 Elsevier B.V. All rights reserved.

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Держатели документа:
Univ Leicester, Dept Math, Leicester LE1 7RH, Leics, England
RAS, SB, Inst Computat Modelling, Krasnoyarsk, Russia
Bures Sur Yvette & Bioinformat Serv Inst Curie, Inst Hautes Etudes Sci, Paris, France
ИВМ СО РАН
Department of Mathematics, University of Leicester, Leicester, University Road, Leicester LE1 7RH, United Kingdom
Institute of Computational Modelling, SB RAS, Krasnoyarsk, Russian Federation
Institut des Hautes Etudes Scientifiques, Bures-sur-Yvette and Bioinformatics Service of Institut Curie, Paris, France

Доп.точки доступа:
Popova, T.; Zinovyev, A.
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Synthesis, crystal structure, and thermodynamic properties of CuSm2Ge2O8 / L. T. Denisova, M. S. Molokeev, Y. F. Kargin [et al.] // Russ. J. Inorg. Chem. - 2021. - Vol. 66, Is. 12. - P. 1817-1821, DOI 10.1134/S0036023621120020. - Cited References: 30. - This work was carried out with partial financial support within the framework of the State assignment for science of the Siberian Federal University, project number FSRZ2020-0013 . - ISSN 0036-0236. - ISSN 1531-8613

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
TEMPERATURE HEAT-CAPACITY
   CU-O
   PREDICTION
   GERMANATES
   GROWTH
Кл.слова (ненормированные):
copper samarium germanate -- crystal structure -- high-temperature heat capacity -- thermodynamic functions
Аннотация: Copper samarium germanate CuSm2Ge2O8 have been synthesized by the ceramic method from CuO, Sm2O3, and GeO2 in air at the final calcination temperature 1273 K (200 h), and its crystal structure has been determined (space group Cm; a = 9.7592(2) Å, b = 15.2608(4) Å, c = 8.2502(2) Å, β = 148.2566(8)°, V = 646.46(3) Å3). The temperature dependence of the molar heat capacity Cp = f(T) measured in the temperature range 350–1000 K shows a maximum at Tmax = 498.5 K caused by the phase transition. Thermodynamic properties have been calculated from experimental data.

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Публикация на русском языке Синтез, кристаллическая структура и термодинамические свойства CuSm2Ge2O8 [Текст] / Л. Т. Денисова, М. С. Молокеев, Ю. Ф. Каргин [и др.] // Журн. неорг. химии. - 2021. - Т. 66 № 12. - С. 1700-1705

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Baikov Inst Met & Mat Sci, Moscow 119991, Russia.

Доп.точки доступа:
Denisova, L. T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kargin, Yu F.; Irtyugo, L. A.; Belousova, N., V; Denisov, V. M.; Siberian Federal University [FSRZ2020-0013]
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