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Wyświetlanie 1-15 z 22
Tytuł:
Van Der Waals Density Functionals for Graphene Layers and Graphite
Autorzy:
Birowska, M.
Milowska, K.
Majewski, J.
Powiązania:
https://bibliotekanauki.pl/articles/1492823.pdf
Data publikacji:
2011-11
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
31.15.E-
61.46.-w
73.20.At
73.22.-f
Opis:
In this communication, we present results of theoretical studies of various systems where Van der Waals interaction plays a considerable role. In the first-principle calculations performed in the density functional theory framework we implement novel functionals accounting for Van der Waals forces and employ to the test cases of graphite and graphene layers. It turns out that this approach provides a solution to the long standing problem of overbinding between graphene layers in bulk graphite, giving the distance between the carbon layers in excellent agreement with experiment. In graphene bilayers, Van der Waals functionals lead to energetic barriers for A-B to A-A ordering of graphene bilayers that are by a factor of two smaller than the barriers obtained with standard functionals. It may be of crucial importance, particularly, if one uses atomistic ab initio methods as a starting point for multi-scale modeling of materials and for determination of effective potentials.
Źródło:
Acta Physica Polonica A; 2011, 120, 5; 845-848
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Uniwersytet Ekonomiczny w Poznaniu
Evaluation of the economy for macroeconomic policy purposes
Autorzy:
Tomidajewicz, Janusz J.
Błaszczyk, Paweł
Powiązania:
https://bibliotekanauki.pl/articles/693462.pdf
Data publikacji:
2013
Wydawca:
Uniwersytet im. Adama Mickiewicza w Poznaniu
Tematy:
JEL
B22
B41
E20
E30
E61
goals of an economic policy
assessment of the economy
economic policy
cele polityki gospodarczej
ocena gospodarki
polityka ekonomiczna
Opis:
The main aim of this paper is to present a combination of measures that are useful for economic policy activities in the assessment of a given economic condition from two points of view, in the shortand long-term perspective. At the same time, it should be noted that, in relation to the former, the authors’ comments are rather of an ordering character, while their own proposals have been formulated mainly with regard to the latter interpretation. The paper consists of two basic parts. One is predominantly theoretical in character and concerns the macroeconomic basics of economy evaluation and its use by economic decision makers and as well entities of the private sector (parts II and III). The other presents partial indicators of the contemporary macroeconomic policy. It includes among others: the GDP and the general price level dynamics, the rate of unemployment and the public sector balance. Additionally, a multi-indicator, a macroeconomic measure of the economy is presented (parts IV and V).
Głównym celem niniejszego opracowania jest przedstawienie zastawu mierników wykorzystywanych w polityce gospodarczej do oceny sytuacji gospodarczej z dwóch punktów widzenia – zarówno w krótko-, jak i długookresowej perspektywie. Należy przy tym zaznaczyć, że w odniesieniu do mierników w pierwszym ujęciu przedstawione tu uwagi mają raczej charakter porządkujący, własne propozycje autorów zaś sformułowane zostały głównie w odniesieniu do drugiego ujęcia. W konsekwencji artykuł składa się z dwóch głównych części. Pierwsza ma przede wszystkim charakter teoretyczny i dotyczy makroekonomicznych podstaw oceny gospodarki i jej wykorzystania zarówno przez decydentów gospodarczych, jak i podmioty sektora prywatnego (punkty II i III). W drugiej części prezentowane są cząstkowe wyznaczniki bieżącej makroekonomicznej polityki gospodarczej. Można do nich zaliczyć m.in.: dynamikę PKB i ogólnego poziomu cen, stopę bezrobocia i bilans sektora finansów publicznych. Dodatkowo przedstawiona została również metodyka WMMOG (punkty IV i V).
Źródło:
Ruch Prawniczy, Ekonomiczny i Socjologiczny; 2013, 75, 3; 123-137
0035-9629
2543-9170
Pojawia się w:
Ruch Prawniczy, Ekonomiczny i Socjologiczny
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Study of Magnetic Molecules Containing Cr₉ Chromium-Based Rings within Density Functional Theory
Autorzy:
Brzostowski, B.
Wojciechowski, M.
Kamieniarz, G.
Powiązania:
https://bibliotekanauki.pl/articles/1032265.pdf
Data publikacji:
2017-04
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.50.Xx
71.15.Mb
73.22.-f
75.30.Et
31.15.E-
Opis:
We examine the electronic and magnetic properties of three frustrated Cr₉ molecules with a single bond defect using density functional theory method. Five non-equivalent broken-symmetry spin configurations with S=±3/2 for Cr are considered, the corresponding differences between the total energies are calculated and the exchange interaction parameters J extracted using different scenarios. We find that the couplings for all molecules are antiferrimagnetic. We also estimate the fundamental gaps and in addition, the high occupied molecular orbitals and low occupied molecular orbitals are plotted and discussed.
Źródło:
Acta Physica Polonica A; 2017, 131, 4; 961-963
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Positive Temperature Coefficient of Resistivity Effect in the $Pb(Fe_{1//2}Nb_{1//2})O_{3}$ Ceramics Admixed with Lithium
Autorzy:
Bochenek, D.
Powiązania:
https://bibliotekanauki.pl/articles/1795785.pdf
Data publikacji:
2009-09
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
77.80.-e
77.80.Bh
77.22.Gm
Opis:
In the paper technological conditions were looked for to obtain the $Pb(Fe_{1//2}Nb_{1//2})O_{3} (PFN) ceramics and the PFN ceramics with the lithium admixture with the highest electric conduction and conditions appropriate for the PTC-R effect formation. Measurements of dc electrical resistivity, dielectric permittivity and dielectric loss were made as functions of temperature from room temperature to 190°C, at 1 kHz. The best set of values of dielectric loss and dielectric constant, from the ferroelectricity point of view, were obtained when the precursor with orthorhombic structure was employed. By creating appropriate technological conditions in the PFN ceramics the PTC-R effect can occur above the Curie temperature. Their electric properties are determined by presence of a basic phase of the potential barrier on the grain boundaries.
Źródło:
Acta Physica Polonica A; 2009, 116, 3; 268-270
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Effect of Substrate on Vibrational Properties of Single-Layer MoS₂
Autorzy:
Gołasa, K.
Molas, M.
Nogajewski, K.
Grzeszczyk, M.
Zinkiewicz, M.
Potemski, M.
Babiński, A.
Powiązania:
https://bibliotekanauki.pl/articles/1398570.pdf
Data publikacji:
2016-11
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
63.22.-m
71.35.-y
78.20.-e
78.30.-j
Opis:
We report on the Raman scattering from single-layer molybdenum disulfide (MoS₂) deposited on various substrates: Si/SiO₂, hexagonal boron nitride (h-BN), sapphire, as well as suspended. Room temperature Raman scattering spectra are investigated under both resonant (632.8 nm) and non-resonant (514.5 nm) excitations. A rather weak influence of the substrate on the Raman scattering signal is observed. The most pronounced, although still small, is the effect of h-BN, which manifests itself in the change of energy positions of the E' and A'₁ Raman modes of single-layer MoS₂. We interpret this modification as originating from van der Waals interaction between the MoS₂ and h-BN layers.
Źródło:
Acta Physica Polonica A; 2016, 130, 5; 1172-1175
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Terahertz Spectroscopy of Ordered $PbSc_{1//2}Nb_{1//2}O_3$ Ceramics
Autorzy:
Macutkevič, J.
Adomavičius, R.
Krotkus, A.
Valušis, G.
Grigalaitis, R.
Banys, J.
Bormanis, K.
Sternberg, A.
Powiązania:
https://bibliotekanauki.pl/articles/1813210.pdf
Data publikacji:
2008-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
77.22.Gm
77.80.-e
77.80.Bh
Opis:
The ordered $PbSc_{1//2}Nb_{1//2}O_3$ ceramics were studied by THz transmission spectroscopy in the temperature range of 80-300 K. Below ferroelectric phase transition temperature the strength of central mode gradually decreases and gives evidence for a mixed displacive and order-disorder character of the transitions. Ferroelectric phase transition is connected with an abrupt freezing and rise of polar nanoregions into ferroelectric domains.
Źródło:
Acta Physica Polonica A; 2008, 113, 3; 883-886
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Structural and Electronic Properties of Functionalized Graphene
Autorzy:
Milowska, K.
Birowska, M.
Majewski, J.
Powiązania:
https://bibliotekanauki.pl/articles/1492822.pdf
Data publikacji:
2011-11
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
31.15.E-
61.46.-w
73.20.At
73.22.-f
Opis:
In the present paper, we study the effects of functionalization of graphene with simple organic molecules OH, and $NH_2$, focusing on the stability and band gaps of the structures. We have performed DFT calculations for graphene supercells with various numbers of the attached molecules. We have determined adsorption energies of the functionalized graphene mono- and bilayers, the changes in the geometry, and the band structure. We observe the characteristic effects such as rehybridization of the bonds induced by fragments attached to graphene and opening of the graphene band gap by functionalization. We have also studied the dependence of the adsorption energies of the functionalized graphene on the density of the adsorbed molecules. Our calculations reveal that the -OH and $-NH_2$ groups exhibit the strong cohesion to graphene layers. Further, we determine the critical density of the OH fragments which lead to the opening of the band gap. We also show how to engineer the magnitude of the band gap by functionalizing graphene with $NH_2$ groups of various concentrations.
Źródło:
Acta Physica Polonica A; 2011, 120, 5; 842-844
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Raman Study on Doped Multiwalled Carbon Nanotubes
Autorzy:
Costa, S.
Borowiak-Palen, E.
Powiązania:
https://bibliotekanauki.pl/articles/1807799.pdf
Data publikacji:
2009-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
78.67.Ch
73.22.-f
81.07.De
61.72.Ww
63.20.-e
Opis:
In the present study we report resonance Raman study on multiwalled carbon nanotubes treated with HCl, $HNO_3$ and $H_2SO_4$. Acids are commonly used in purification procedures in order to remove catalyst particles from the as-produced material. However, it is known that acid treatments in multiwalled carbon nanotubes can induce a surface functionalisation and intercalation of the walls, modifying their electronic properties. Here, we present a comparative study between samples of multiwalled carbon nanotubes modified with the most common acids used in the purification of carbon materials, and the influence of the acid treatment time on their vibronic properties. The samples were analysed via the Raman spectroscopy using the laser length of 785 nm. The presented data reveal the modification of the typical multiwalled carbon nanotubes Raman bands such as: disorder band (D band), the graphite band (G band), and the two-phonon second order Raman band (G' band). The last one shows a broadening effect on its line shape and the appearance of an additional peak. All the treatments enhance the number of defects in the graphitic structure of multiwalled carbon nanotubes.
Źródło:
Acta Physica Polonica A; 2009, 116, 1; 32-35
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Optical Properties of Molybdenum Disulfide $(MoS_2)$
Autorzy:
Gołasa, K.
Grzeszczyk, M.
Korona, K.
Bożek, R.
Binder, J.
Szczytko, J.
Wysmołek, A.
Babiński, A.
Powiązania:
https://bibliotekanauki.pl/articles/1399110.pdf
Data publikacji:
2013-11
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
63.22.-m
71.35.-y
78.20.-e
78.30.-j
Opis:
Research of a monolayer and a bulk $MoS_2$ is reported. The room temperature Raman spectra of the natural $MoS_2$ crystals for the both resonant (632.8 nm) and the non-resonant (532 nm) excitation are presented. The apparent differences observed in the spectra from the bulk and the one monolayer $MoS_2$ are discussed. In particular, the feature due to a first order scattering involving the LA(M) phonon in the resonance Raman spectrum of the one monolayer $MoS_2$ was observed and explained in terms of the disorder in the natural crystal. The disorder is also documented by the line-shape of the room-temperature photoluminescence spectra observed from both the bulk and the one monolayer $MoS_2$.
Źródło:
Acta Physica Polonica A; 2013, 124, 5; 849-851
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Mapping of the DFT Spin Configuration Energies of Cr8Cd Molecular Ring onto the Energy Structure of Falicov-Kimball Model
Autorzy:
Wojciechowski, M.
Brzostowski, B.
Lemański, R.
Kamieniarz, G.
Powiązania:
https://bibliotekanauki.pl/articles/1386266.pdf
Data publikacji:
2015-02
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.50.Xx
71.15.Mb
73.22.-f
75.30.Et
31.15.E-
71.10.-w
Opis:
A comprehensive study of electronic and magnetic properties of a recently synthesized nonametalic chromium-based heteronuclear molecule Cr₈CdF₉(O₂C-C(CH₃)₃)₁₈ is presented, using DFT and Falicov-Kimball (FK) model approach. The magnetic moments are calculated and the spin charge density map is discussed. The exchange coupling parameters between transition metals ions are extracted, taking into account all the nonequivalent spin configurations. It is demonstrated that the energies of the spin configurations can be reproduced by the FK model with a set of parameters consistent with that for the parent Cr8 molecule. For molecular ring considered, the ground state corresponds to the antiferromagnetic configuration and the ferromagnetic configuration yields the highest energy.
Źródło:
Acta Physica Polonica A; 2015, 127, 2; 410-412
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Magnetoelectric Properties of $0.3Bi_{0.95}Dy_{0.05}FeO_3-0.7Pb(Fe_{2//3}W_{1//3})O_3$ Multiferroic
Autorzy:
Stoch, A.
Stoch, P.
Kulawik, J.
Zieliński, P.
Maurin, J.
Powiązania:
https://bibliotekanauki.pl/articles/1490931.pdf
Data publikacji:
2012-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.85.+t
77.22.-d
77.55.Nv
77.80.-e
77.80.Jk
Opis:
Pb-based complex perovskites with $Fe^{3+}$ like $Pb(Fe_{2//3}W_{1//3})O_3$ were found to be interesting because of their unique properties such as relaxor and magnetoelectric behavior. $Pb(Fe_{2//3}W_{1//3})O_3$ is ferroelectric with ferroelectric Curie temperature $T_{C}$ between 150 and 200 K and at the same time is antiferromagnetic with magnetic Néel temperature about 400 K. $BiFeO_3$ is a well known perovskite compound which exhibits ferroelectric ($T_{C}$ = 1103 K) and antiferromagnetic ($T_{N}$ = 643 K) ordering simultaneously. The polycrystalline sample of $0.3Bi_{0.95}Dy_{0.05}FeO_3-0.7Pb(Fe_{2//3}W_{1//3})O_3$ were synthesized using standard sintering procedure. Magnetization vs. magnetic field (at 4.2 K) curves were measured. Magnetoelectric properties of the sample were obtained.
Źródło:
Acta Physica Polonica A; 2012, 121, 1; 128-130
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Ferroelectromagnetic Smart Structures $(1-x)Pb(Fe_{0.5}Nb_{0.5})O_{3}-(x)BiFeO_{3}$
Autorzy:
Bochenek, D.
Zachariasz, R.
Ilczuk, J.
Dudek, J.
Powiązania:
https://bibliotekanauki.pl/articles/1795787.pdf
Data publikacji:
2009-09
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
77.80.-e
68.37.Hk
77.80.Bh
77.22.Gm
Opis:
In this work an attempt was made to obtain three compositions of the solid solution $(1-x)Pb(Fe_{0.5}Nb_{0.5})O_{3}-(x)BiFeO_{3}$ for x=0.8, 0.7 and 0.6. The obtained specimens were subjected to microstructure and dielectric examinations and temperature dependences of the internal friction $Q^{-1}(T)$ and Young's modulus E(T).
Źródło:
Acta Physica Polonica A; 2009, 116, 3; 274-276
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Dielectric Relaxation in Cellulose and its Derivatives
Autorzy:
Rachocki, A.
Markiewicz, E.
Tritt-Goc, J.
Powiązania:
https://bibliotekanauki.pl/articles/2043411.pdf
Data publikacji:
2005-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
61.41.+e
77.84.Jd
77.22.Gm
Opis:
The relaxation processes in cellulose, methyl cellulose, hydroxypropyl cellulose, and hydroxypropylmethyl cellulose were studied by dielectric spectroscopy. The dielectric spectra for these polysaccharides were measured in the frequency range from 100 Hz to 1 MHz and in the temperature range from 100 to 450 K. The dielectric relaxation data for cellulose, methyl cellulose, hydroxypropylmethyl cellulose were described by Arrhenius and Eyring equations and interpreted as due to a local motion of chain segments via the glucosidic linkages, so-calledβ-relaxation. The same relaxation process was also determined for the hydroxypropyl cellulose polymer in the temperature range of 240-270 K. At higher temperature in hydroxypropyl cellulose another relaxation mechanism occurs due to the reorientation of the side chain built of a few hydroxypropylene groups. The activation parameters of the observed dielectric relaxation processes were determined.
Źródło:
Acta Physica Polonica A; 2005, 108, 1; 137-145
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Wyświetlanie 1-15 z 22

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