Philosophical Magazine Part B最新文献_第2页

Thermodynamic parameters of water calculated from its infrared OH stretching spectrum 根据水的红外氢氧根拉伸光谱计算水的热力学参数

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208222941

M. Georgiev, N. Goutev, Z. Nickolov, J. Ramsden, G. Georgiev

引用次数: 1

T c enhancement in multiphonon-mediated multiband superconductivity 多声子介导的多带超导中的tc增强

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208223170

A. Bussmann-Holder, M. Gulácsi, A. Bishop

引用次数: 3

Formation of large nanostructured Pd82Si18 alloy rods 形成大型纳米结构的Pd82Si18合金棒材

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208222939

K. Ng, H. Kui

引用次数: 3

Microstructure of epitaxial SrRuO 3 films on Si(001) substrates Si(001)衬底外延srruo3薄膜的微观结构

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/1364281021000050070

Yuxi Chen, J. Koike, T. Higuchi, S. Iwashita, M. Ishida, T. Shimoda

引用次数: 0

Comparative Hartree-Fock and density-functional theory study of cubic and hexagonal diamond 立方和六边形金刚石的Hartree-Fock比较和密度泛函理论研究

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208222938

A. Barnard, S. Russo, I. Snook

引用次数: 27

Ab initio determination of the (001) antiphase-boundary energy in the D022 Ni3V compound D022 Ni3V化合物(001)反相边界能的从头算测定

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208223168

C. Colinet, A. Pasturel

{"title":"Ab initio determination of the (001) antiphase-boundary energy in the D022 Ni3V compound","authors":"C. Colinet, A. Pasturel","doi":"10.1080/13642810208223168","DOIUrl":"https://doi.org/10.1080/13642810208223168","url":null,"abstract":"Abstract The cohesive energies of L12, D022, D023 and selected one-dimensional (1D) long-period structures (LPSs) based on the L12 structure in the Ni-V system for the Ni3V composition have been obtained by ab-initio calculations using the Vienna ab-initio simulation package. Relaxations, both external and internal with respect to the cell, are taken into account in the determination of the structural stability of the 1D LPSs. At each stage of the relaxation process the D022 structure is the ground state. The values of the (001) antiphase-boundary (APB) energies are obtained from the energy differences of 1D LPSs with respect to either L12 or D022, with stacking of at least three L12 cubes along the direction perpendicular to the APB. The energy effects in the 1D LPSs are described in the framework of an axial next-nearest neighbour Ising model. The values of the interaction parameters are obtained in the ideal, distorted and fully relaxed structures. The APB energies are also derived from these parameters. The results show that it is necessary to consider long-range interactions in order to obtain reliable values of the APB energies. The results show also the influence of the relaxation effects on the APB energies.","PeriodicalId":20016,"journal":{"name":"Philosophical Magazine Part B","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2002-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91482819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

p, d and f bonds in elemental solids 单质固体中的P d f键

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208222937

W. Harrison

{"title":"p, d and f bonds in elemental solids","authors":"W. Harrison","doi":"10.1080/13642810208222937","DOIUrl":"https://doi.org/10.1080/13642810208222937","url":null,"abstract":"Abstract We study the energy gained for simple crystal structures by occupying the lower portion of tight-binding bands arising from one shell of atomic orbitals. We see that a Friedel model, based upon a rectangular density of states and the second moment of the bands, gives a reasonable account of the cohesive energy. It also predicts an equilibrium spacing proportional to the fourth root of the coordination but gives total energies independent of coordination. This depended upon an interatomic repulsion assumed to be proportional to the square of the interorbital coupling. When the variation in the repulsion is more rapid, as it tends to be lower in the periodic table, and in the simple metals, larger coordinations and simple close-packed structures are favoured. Going beyond this approximation, we find the energy lower when weakly coupled bond orbitals can be constructed, as for the [sgrave] bonds in tetrahedral semiconductors. Applying this correction to half-filled p bands favours the formation of right-angle [sgrave] bonds between three neighbours. This result, modified for the different filling of the p shell in the non-metal groups V, VI, VII and VIII of the periodic table, gives a good qualitative account of the observed structures. The same theory applied to half-filled f bands gives the same tendency for right-angle [sgrave] bonds, although for d bands it does not. Applying the theory to the light actinides, for fillings less than half, makes plausible the type of structures observed in plutonium and neptunium and is not inconsistent with those observed in uranium, protactinium and thorium.","PeriodicalId":20016,"journal":{"name":"Philosophical Magazine Part B","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2002-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86325433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Positron annihilation study of the diffusion of oxygen in annealed silicon-doped gallium arsenide 氧在退火掺硅砷化镓中扩散的正电子湮没研究

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208222942

A. Towner, M. Nathwani, A. Saleh, D. P. van der Werf, P. Rice-Evans

引用次数: 0

Rapid crystallization of amorphous silicon at room temperature 非晶硅在室温下的快速结晶

Philosophical Magazine Part B Pub Date : 2002-11-01 DOI: 10.1080/13642810208222940

P. Fojtík, K. Dohnalová, T. Mates, J. Stuchlík, I. Gregora, J. Chval, A. Fejfar, J. Kǒcka, I. Pelant

引用次数: 20

Metal–insulator transition in the spinel-type Cu (Ir1–xTix)2S4 system 尖晶石型Cu (Ir1-xTix)2S4体系中的金属-绝缘体转变

Philosophical Magazine Part B Pub Date : 2002-10-01 DOI: 10.1080/13642810208220733

S. Nagata, Seiji Ito, R. Endoh, J. Awaka

{"title":"Metal–insulator transition in the spinel-type Cu (Ir1–xTix)2S4 system","authors":"S. Nagata, Seiji Ito, R. Endoh, J. Awaka","doi":"10.1080/13642810208220733","DOIUrl":"https://doi.org/10.1080/13642810208220733","url":null,"abstract":"Abstract The normal sulphospinel CuIr2S4 exhibits a temperature-induced metalinsulator (M-I) transition around T M-1 = 230 K with a structural transformation. This T M-1 increases markedly with increasing pressure. It has been verified that the 5d electrons of Ir ions at the B sites located at the Fermi surface play a significant role for the strong correlated electron system. Conversely, CuTi2S4 remains metallic down to 4.2 K without any structural transformations. These two compounds have the same normal spinel structure, whereas the number of d electrons at the B sites are quite different. High-purity spinel-type Cu(Iri1−xTix)2S4 specimens have been successfully synthesized. The value of the lattice constant a indicates a broad minimum around x = 0.12, not obeying Vegard's law. We have systematically studied the structural transformation and electrical and magnetic properties of Cu(Ir1−xTix)2S4. A phase diagram between T M-1 and x will be provided for the Cu(Ir1−xTix)2S4 system. T M-1 varies drastically with x and disappears at around x = 0.06. A novel relationship, namely a ‘mirror image effect’, between the value of residual resistivity and the magnitude of the electronic density of states, D(εF), at the Fermi level, has been observed accurately.","PeriodicalId":20016,"journal":{"name":"Philosophical Magazine Part B","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2002-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88094390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 7