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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lundin A. A., Zobov V. E.
Заглавие : Asymptotic similarity of time correlation functions and shape of the 13C and 29Si NMR spectra in diamond and silicon
Коллективы : Institute of Chemical Physics of the Russian Academy of Science [0082-2018-0005, TSITIS AAAA-A18-118020690203]
Место публикации : J. Exp. Theor. Phys. - 2018. - Vol. 127, Is. 2. - P.305-315. - ISSN 1063-7761, DOI 10.1134/S1063776118080216. - ISSN 1090-6509(eISSN)
Примечания : Cited References: 47. - We thank V.A. Atsarkin, V.V. Demidov, F.S. Dzheparov, and E. B. Feldman for the discussion of our results. This work was supported by a subsidy allocated by the Institute of Chemical Physics of the Russian Academy of Science for the State assignment, theme 0082-2018-0005, code TSITIS AAAA-A18-118020690203.
Предметные рубрики: SPIN SYSTEMS
LINE-SHAPES
RELAXATION
SOLIDS
PARAMAGNETS
RESONANCE
Аннотация: Based on the proposed theory, we have investigated the shape of the NMR absorption spectra for 13C and 29Si nuclei in diamond and silicon crystals attributable to the internuclear dipole–dipole interaction. In accordance with the available experimental data, we have considered both crystals with a 100% content of magnetoactive isotopes and crystals with a comparatively low dilution by nonmagnetic nuclei. The time correlation functions (the first of which is the Fourier transform of the NMR spectrum) arising in an infinite chain of coupled differential equations are shown to be mutually similar with a slight time delay. The proposed theory allows the spectrum to be calculated analytically. The results obtained agree satisfactorily with the experimental ones. It is noted that the mutual similarity of the time correlation functions is probably a corollary of the development of dynamical chaos in the system.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : ZOBOV V. E.
Заглавие : AUTO-CORRELATION FUNCTION OF A HEISENBERG PARAMAGNET IN THE APPROXIMATION OF A SELF-CONSISTENT FLUCTUATING FIELD
Место публикации : Theor. Math. Phys.: PLENUM PUBL CORP, 1988. - Vol. 77, Is. 3. - P1299-1309. - ISSN 0040-5779, DOI 10.1007/BF01016985
Примечания : Cited References: 22
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Loginov V. M., Shapiro V. E.
Заглавие : Brownian particle movement in statistical uniform-fields with finite-time of some correlation decrease
Место публикации : Zhurnal Tek. Fiz. - 1981. - Vol. 51, Is. 1. - P.40-45. - ISSN 0044-4642
Примечания : Cited References: 13
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorban A., Popova T., Zinovyev A.
Заглавие : Codon usage trajectories and 7-cluster structure of 143 complete bacterial genornic sequences
Разночтения заглавия :авие SCOPUS: Codon usage trajectories and 7-cluster structure of 143 complete bacterial genomic sequences
Место публикации : Physica A: ELSEVIER SCIENCE BV, 2005. - Vol. 353. - P365-387. - ISSN 0378-4371, DOI 10.1016/j.physa.2005.01.043
Примечания : Cited References: 46
Предметные рубрики: DNA-BASE COMPOSITION
ASYMMETRIC SUBSTITUTION PATTERNS
PROTEIN-CODING REGIONS
MICROBIAL GENOMES
GENE IDENTIFICATION
MARKOV-MODELS
G+C CONTENT
BIAS
PREDICTION
SELECTION
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrov D. A., Edelman I. S., Thakur A., Thakur P., Sukhachev A. L., Ovchinnikov S. G.
Заглавие : Correlation between magnetic and electric properties in the series of CoxZn1 – xFe2O4 nanoparticles
Место публикации : JETP Lett. - 2023. - Vol. 117, Is. 10. - P.765-768. - ISSN 00213640 (ISSN), DOI 10.1134/S0021364023600969. - ISSN 10906487 (eISSN)
Примечания : Cited References: 18. - The author(s) A. Thakir and O. Thakir would like to acknowledge the support provided under the The Department of Science and Technology-Funding for Improvemnt of Science and Technology (DST-FIST) Grant # SR/FST/PS-I/2018/48 of Gouverment of India. Autors also wish to acknowledge Gurujal, an initiative with district administration Gurugram for financial assistance vide project # 176 Gurujal dated September 10, 2019, Amity Incubation grant from The Ministry of Electronics and Information Technology: (Meity) under Technology Incubation and Development of Enterpreneurs (TIDE 2.0) program and the startup Nanolattice X
Аннотация: Magnetization dependences of CoxZnl1 – xFe2O4 nanoparticles (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5) synthesized with the citrate precursor technique on an external magnetic field and temperature are presented. Ferrimagnetic order in nanoparticles with x ≥ 0.2 appeared at temperatures, T, exceeding room temperature, and in nanoparticles with x = 0 and 0.1 at T near 100 K. The saturation magnetization, Ms, remnant magnetization, Mr, and the coercive force, Hc, increase with x increase and the temperature decrease. Ms reached very high value: Ms of NPs with x = 0.5 equals to 106.6 emu/g at 100 K while, according to the literature data, Ms of stoichiometric bulk Co ferrite equals to 90 emu/g at 4.2 K. Correlations between concentration dependences of magnetic and electric properties has been revealed and explained qualitatively.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Greben'kova Yu.E., Edel'man I. S., Sokolov A. E., Stepanova E. A., Andreev N. V., Chichkov V. I.
Заглавие : Correlation between magnetic and magneto-optical properties of Sr doped PrMnO3 polycristalline films
Коллективы : Moscow International Symposium on Magnetism
Место публикации : Moscow Int. Symp. on Magnet. (MISM-2014): Book of abstracts. - 2014. - Ст.2PO-I2-26. - P.807. - ISBN 978-5-91978-025-0
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Samoshkina Yu. E., Edelman I. S., Rautskii M. V., Molokeev M. S.
Заглавие : Correlation between magneto-optical and transport properties of Sr doped manganite films
Место публикации : J. Alloys Compd. - 2019. - Vol. 782. - P.334-342. - ISSN 09258388 (ISSN) , DOI 10.1016/j.jallcom.2018.12.158
Примечания : Cited References: 51. - The authors are grateful to A.V. Malakhovskii (Kirensky Institute of Physics, Federal Research Center KSC SB RAS) for fruitful discussions of the magneto-optics data and V.I. Chichkov and N.V. Andreev (National University of Science and Technology MISiS) for the preparation of the manganite films. The work was supported partly by Russian Academy of Sciences , [grant number 0356-2017-0030 ], and the Russian Foundation for Basic Research , [grant number 16-32-00209 ].
Ключевые слова (''Своб.индексиров.''): thin films--manganites--crystal structure--electrical transport--electronic properties--magnetic circular dichroism
Аннотация: The features of electronic structure of La0.7Sr0.3MnO3 Pr0.8Sr0.2MnO3, and Pr0.6Sr0.4MnO3 polycrystalline films of different thickness have been investigated using magnetic circular dichroism (MCD) in the range of 1.1–4.2 eV. The temperature behavior of the samples electrical resistance were also has been studied. It was found that films with high Sr content (0.3 and 0.4) act as high-temperature semiconductors, while the maximum in the temperature dependences of resistivity these films indicates the transition of the samples to the metallic state at some temperature TM-S, which is different for different sample thickness. The films with the lower Sr content (0.2) act as insulators in the used temperature range. The MCD spectra have been decomposed to the Gaussian-shaped lines, and the temperature dependence of intensity of each line has been analyzed in comparison with temperature dependence of the films magnetization and with their electric conductivity type. Different temperature behavior of the intensity of four specified Gaussian-lines was revealed for semiconductor films. In the case of insulating Pr0.8Sr0.2MnO3 samples, the intensity of three specified Gaussian lines changes with the temperature in the same way as the magnetization changed. It was established that the lanthanide (La, Pr) type does not affect the MCD spectra shape for the films with the same electrical conductivity type. Besides, the correlation between the MCD data of the films and their conductivity type was revealed. Due to the detailed analysis of the specified Gaussian lines with taking into account the well-known in the literature absorption bands, lying outside the studied spectral region, the MCD bands for the studied manganite films have been identified with electronic transitions of a different nature.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Balaev D. A., Semenov S. V., Petrov M. I.
Заглавие : Correlation between magnetoresistance and magnetization hysteresis in a granular high-T C superconductor: Impact of flux compression in the intergrain medium
Место публикации : J. Supercond. Nov. Magn.: Springer, 2014. - Vol. 27, Is. 6. - P.1425-1429. - ISSN 1557-1939, DOI 10.1007/s10948-014-2491-6. - ISSN 1557-1947
Примечания : Cited References: 27
Предметные рубрики: HIGH-TEMPERATURE SUPERCONDUCTOR
JOSEPHSON MEDIUM
CRITICAL-STATE
YBA2CU3O7-DELTA
FIELDS
BEHAVIOR
HTSC
COMPOSITES
RESISTANCE
MOTION
Ключевые слова (''Своб.индексиров.''): granular superconductor--josephson medium--effective field--magnetoresistance--magnetization hysteresis
Аннотация: The correlation between experimental magnetic field dependences of magnetoresistance and magnetization hysteresis in granular YBa2Cu3O7 is established. Within the proposed approach, magnetoresistance is assumed to be determined by the effective field in the intergrain boundaries the ensemble of which is considered to be a Josephson medium. The effective field in the intergrain medium can be written in the form B (eff)(H)=H-4 pi M(H)x alpha, where alpha is the parameter of averaged demagnetizing factors of grains and the degree of flux compression. A comparison of experimental magnetoresistance R(H) and magnetization M(H) hysteresis dependences obtained at different external magnetic field sweep rates yields the value alpha similar to 10, which is caused by the flux compression between grains. The proposed model describes well most of the features of the magnetoresistance hysteresis in granular high-T (C) superconductors.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Loseva G. V., Ovchinnikov S. G., Chernov V. K., Ivanova N. B., Kiselev N. I., Bovina A. V.
Заглавие : Correlation between the magnetic and electrical properties of the (VS)(x)(Fe2O3)(2-x) oxysulfide system
Разночтения заглавия :us: Correlation between the magnetic and electrical properties of the (VS)x(Fe2O3)2-x oxysulfide system
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 4. - P730-733. - ISSN 1063-7834, DOI 10.1134/1.1131281
Примечания : Cited References: 7
Аннотация: The correlation between the magnetic and electrical properties of the (VS)(x)(Fe2O3)(2-x) (0.9 x 1.25) oxysulfide solid solutions has been studied. The crossover of conductivity from the semimetallic to semiconducting type is accompanied by changes in the magnetic susceptibility, which are characteristic of the transition from delocalized to localized electrons. For x
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Komogortsev S. V., Iskhakov R. S., Zimin A. A., Korenev S. V., Filatov E. Yu., Shubin Yu. V., Chizhik N. A., Yurkin G.Yu., Eremin E. V.
Заглавие : Correlation of magnetic anisotropy energy and order parameter in nanostructured CoPt particles
Коллективы : Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism
Место публикации : V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism: abstracts. - Vladivostok: FEFU, 2013. - С. 70. - ISBN 978-5-7444-3124-2
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11.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Komogortsev S. V., Iskhakov R. S., Zimin A. A., Filatov E. Yu. , Korenev S. V. , Shubin Yu. V. , Chizhik N. A. , Yurkin G.Yu., Eremin E. V.
Заглавие : Correlation of magnetic anisotropy energy and order parameter in nanostuctured CoPt particles
Коллективы : Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism
Место публикации : V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism: abstracts. - Vladivostok: FEFU, 2013. - С. 246. - ISBN 978-5-7444-3124-2
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aparin V. P.
Заглавие : Correlation of periodic variations of continental plate displacement relative velocities, sedimentation-rate, and oil deposit formation time
Место публикации : Doklady Akademii Nauk. - 1983. - Vol. 270, Is. 1. - P.161-164. - ISSN 0002-3264
Примечания : Cited References: 14
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tomilin F. N., Avramov P. V., Kuzubov A. A., Ovchinnikov S. G., Pashkov G. L.
Заглавие : Correlation of the chemical properties of carbon nanotubes with their atomic and electronic structures
Место публикации : Phys. Solid State. - 2004. - Vol. 46, Is. 6. - P.1179-1182. - ISSN 1063-7834, DOI 10.1134/1.1767264
Примечания : Cited References: 16. - This work was performed at the “Quantum-Chemical Calculations of Nanoclusters” Collective Use Center of the Krasnoyarsk Center of Science and Education in High Technology, which is supported by the Russian State Federal Program “Integration of Higher Education and Fundamental Science” (projects nos. 31 and 69) and the 6th Competition of Research Projects of Young Scientists of the Russian Academy of Sciences (project no. 155)
Аннотация: The nature of chemical bonding in carbon nanoclusters is investigated by the PM3 semiempirical quantum-chemical method. The influence of the atomic structure on the electronic characteristics and chemical properties of nanoclusters is analyzed. A sigma-pi model is proposed for the chemical bonding in nanotubes. It is shown that, in the framework of the proposed model, nanotubes are objects characterized by a small contribution of pi states to the valence band top. (C) 2004 MAIK "Nauka/Interperiodica".
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Аплеснин, Сергей Степанович, Udod L. V., Sitnikov M. N., Eremin E. V., Molokeev M. S., Tarasova L. S., Yanushkevich K. I., Galyas A. I.
Заглавие : Correlation of the magnetic and transport properties with polymorphic transitions in bismuth pyrostannate Bi2(Sn1 − xCr x)2O7
Коллективы : Russian Foundation for Basic Research [15-02-01445-a], Ministry of Education and Science of the Russian Federation [114090470016]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 57, Is. 8. - P.1627-1632. - ISSN 1063-7834, DOI 10.1134/S1063783415080028
Примечания : Cited References: 17. - This study was supported by the Russian Foundation for Basic Research (project no. 15-02-01445-a) and the Ministry of Education and Science of the Russian Federation (state task no. 114090470016).
Предметные рубрики: GAS SENSORS
Bi2Sn2O7
CRYSTAL
Аннотация: The correlation of the electrical, magnetic, and structural properties of Bi2(Sn1 − xCrx)2O7 solid solutions has been investigated for two compositions with x = 0.05 and 0.1. The temperatures of structural phase transitions and anomalies of the electrical resistance in the vicinity of these transitions at temperatures in the range 300 K ˂ T ˂ 1000 K have been determined using differential scanning calorimetry. It has been found that the thermoelectric power changes sign upon the polymorphic transition. The paramagnetic Curie temperature and the chromium-ion spin have been found from the temperature dependence of the magnetic susceptibility in the range 4 K ˂ T ˂ 1000 K and from the field dependence of the magnetic moment in magnetic fields of up to 6 T.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aver'yanov E. M.
Заглавие : Correlation of the molecular structure of discotic nematic liquid crystals with their orientational order and specific features of the nematic-isotropic phase transition
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2004. - Vol. 46, Is. 8. - P1554-1559. - ISSN 1063-7834, DOI 10.1134/1.1788794
Примечания : Cited References: 32
Предметные рубрики: MONTE-CARLO
ANISOTROPIC SYSTEMS
COMPUTER-SIMULATION
BEHAVIOR
TRIPHENYLENE
DISCOGEN
MESOGEN
FIELD
Аннотация: The orientational order parameter S of molecules in high-temperature discotic nematic liquid-crystal phases of triphenylene derivatives is investigated as a function of the length of side flexible molecular chains at different temperatures. It is established that the orientational order parameters S in the range of the transition from the nematic phase to the isotropic liquid phase (the N-D-I transition) are smaller than those predicted from the molecular-statistical theory and computer simulation. It is shown that the N-D-I transition is close to both the isolated Landau point and the tricritical point (regardless of the chemical structure of the molecules and the anisotropy of dispersion intermolecular interactions). Consistent explanations are offered for a number of experimental findings, such as the anomalously small changes in the enthalpy and entropy upon the N-D-I transition (as compared to those revealed upon the N-I transition in calamitic nematic liquid crystals), the anomalously strong response of the isotropic phase of discotic nematic liquid crystals to external fields (thermodynamically conjugate to the order parameter S) and the long relaxation times of this response, and the formation of cybotactic discotic molecular clusters in the isotropic phase in the vicinity of the N-D-I transition. (C) 2004 MAIK "Nauka / Interperiodica".
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : MARTYNOV S. N.
Заглавие : CORRELATION-FUNCTIONS AND ELECTRON-SPIN-RESONANCE LINEWIDTH OF TWO-DIMENSIONAL HEISENBERG MAGNETS
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1986. - Vol. 28, Is. 10. - P3006-3011. - ISSN 0367-3294
Примечания : Cited References: 15
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : IGNATCHENKO V. A., ISKHAKOV R. S.
Заглавие : CORRELATION-FUNCTIONS OF RANDOM ANISOTROPY AND THE PROBLEM OF FERROMAGNET STATE STABILITY
Место публикации : Journal de Physique. - 1988. - Vol. 49, Is. C-8. - P.1245-1246. - ISSN 0302-0738, DOI 10.1051/jphyscol:19888565
Примечания : Cited References: 8
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ignatchenko V. A., Erementchouk M. V., Maradudin A. A.
Заглавие : Correlation-induced coupling of wave fields in disordered media
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2001. - Vol. 63, Is. 5. - Ст.54205. - ISSN 0163-1829
Примечания : Cited References: 8
Предметные рубрики: HARMONIC OSCILLATOR
CROSSING RESONANCE
Аннотация: The interaction of two wave fields of different physical natures in a disordered medium with a zero-mean coupling between these fields is studied for the example of spin and elastic waves in zero-mean magnetostrictive media. It is shown that correlations between inhomogeneities of the coupling parameter and any other parameter of the medium lead to the appearance of an effective coupling parameter between the averaged waves, which is proportional to the intensity of the correlation and, correspondingly, to the possibility of the excitation of the averaged wave of one field by a force acting on the other wave field.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shestakov V. A., Korshunov M. M., Togushova Yu. N., Dolgov, O., V
Заглавие : Decisive proofs of the s± → s++ transition in the temperature dependence of the magnetic penetration depth
Коллективы : Russian Foundation for Basic Research (RFBR)Russian Foundation for Basic Research (RFBR) [19-32-90109]; RFBRRussian Foundation for Basic Research (RFBR); Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science to the Research Projects 'Electronic correlation effects and multiorbital physics in iron-based materials and cuprates' [19-42-240007]
Место публикации : Supercond. Sci. Technol. - 2021. - Vol. 34, Is. 7. - Ст.075008. - ISSN 0953-2048, DOI 10.1088/1361-6668/abff6f. - ISSN 1361-6668(eISSN)
Примечания : Cited References: 40. - We are grateful to D V Efremov, A S Fedorov, S G Ovchinnikov, E I Shneyder, D Torsello, and A N Yaresko for useful discussions. This work was supported in part by the Russian Foundation for Basic Research (RFBR) Grant No. 19-32-90109 and by RFBR and Government of Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science to the Research Projects 'Electronic correlation effects and multiorbital physics in iron-based materials and cuprates' Grant No. 19-42-240007.
Предметные рубрики: ORDER-PARAMETER
IMPURITIES
SUPERCONDUCTORS
STATES
MODEL
Аннотация: One of the features of the unconventional s± state in iron-based superconductors is possibility to transform to the s++ state with the increase of the nonmagnetic disorder. Detection of such a transition would prove the existence of the s± state. Here we study the temperature dependence of the London magnetic penetration depth within the two-band model for the s± and s++ superconductors. By solving Eliashberg equations accounting for the spin-fluctuation mediated pairing and nonmagnetic impurities in the T-matrix approximation, we have derived a set of specific signatures of the s± → s++ transition: (1) sharp change in the behavior of the penetration depth λL as a function of the impurity scattering rate at low temperatures; (2) before the transition, the slope of ΔλL(T) = λL(T) - λL(0) increases as a function of temperature, and after the transition this value decreases; (3) the sharp jump in the inverse square of the penetration depth as a function of the impurity scattering rate, λL-2(Γa), at the transition; (4) change from the single-gap behavior in the vicinity of the transition to the two-gap behavior upon increase of the impurity scattering rate in the superfluid density ρs(T).
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Di Valentin C., Neyman K. M., Risse T., Sterrer M., Fischbach E., Freund H. J., Nasluzov V. A., Pacchioni G., Rosch N.
Заглавие : Density-functional model cluster studies of EPR g tensors of F-s(+) centers on the surface of MgO
Разночтения заглавия :авие SCOPUS: Density-functional model cluster studies of EPR g tensors of F s + centers on the surface of MgO
Место публикации : J. Chem. Phys.: AMER INST PHYSICS, 2006. - Vol. 124, Is. 4. - Ст.44708. - ISSN 0021-9606, DOI 10.1063/1.2161190
Примечания : Cited References: 37
Предметные рубрики: ELECTRONIC G-TENSORS
CORRELATION-ENERGY
MGO(001) SURFACE
OXYGEN VACANCIES
SPIN-ORBIT
G-VALUES
ATOMS
APPROXIMATION
COMPLEXES
MOLECULES
Ключевые слова (''Своб.индексиров.''): density-functional model cluster--single-crystalline thin films--spin-orbit interaction--anisotropy--paramagnetic resonance--single crystals--tensors--thin films--magnesium compounds
Аннотация: We report g tensors of surface color centers, so-called F-s(+) centers, of MgO calculated with two density-functional approaches using accurately embedded cluster models. In line with recent UHV measurements on single-crystalline MgO film, we determined only small g-tensor anisotropies and negative shifts Delta g equivalent to g-g(e) for all F-s(+) sites considered, namely, (001)-terrace, step, edge, and corner sites. The g values are very sensitive to the local structure of the defect: relaxation reverses the sign of Delta g. However, accounting for the spin-orbit interaction either self-consistently or perturbatively yields very similar results. In addition to the values of the tensor components, their direction with respect to the surface was determined. In contrast to edges, significant deviations from ideal C-2v symmetry were found for F-s(+) centers at steps. Recent data on single-crystalline thin films are reevaluated in the light of these results. (c) 2006 American Institute of Physics.
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