Magnetisation of Hg1-xMnxTe alloys: a self consistent two-spin cluster model

1980 ◽  
Vol 13 (8) ◽  
pp. 1469-1479 ◽  
Author(s):  
G Bastard ◽  
C L Lewiner
Keyword(s):  
Cluster Model ◽  
Spin Cluster ◽  
Self Consistent

Twinned olivenite from Cap Garonne, Mine du Pradet – structure and magnetic behavior

2020 ◽  
Vol 235 (1-2) ◽  
pp. 7-13
Author(s):  
Jutta Kösters ◽  
Christian Paulsen ◽  
Frank Stegemann ◽  
Birgit Heying ◽  
Valérie Galéa-Clolus ◽  
...  
Keyword(s):  
Magnetic Susceptibility ◽  
Single Crystals ◽  
Cluster Model ◽  
Spin Exchange ◽  
Magnetic Behavior ◽  
Exchange Parameter ◽  
X Ray Diffraction ◽  
X Ray ◽  
Spin Cluster ◽  
Antiferromagnetic Spin

AbstractSystematically twinned olivenite (Cu2(AsO4)OH) single crystals from Cap Garonne, Mine du Pradet, France, were studied by X-ray diffraction: P 21/n, a = 822.69(6) pm, b = 861.88(9) pm, c = 594.06(9) pm, β = 90.000(6)°, wR = 0.0224, 1621 F2 values, 79 variables and a domain ratio of 0.501(1)/0.499(1). The temperature dependence of the magnetic susceptibility was well reproduced with a square-spin cluster model and an antiferromagnetic spin-exchange parameter of J/kB = 157(3) K.

A self-consistent multi-regge cluster model

1975 ◽  
Vol 99 (3) ◽  
pp. 499-513 ◽  
Author(s):  
E.J. Squires ◽  
D.M. Webber
Keyword(s):  
Cluster Model ◽  
Self Consistent

scholarly journals Two-proton capture on the 68Se nucleus with a new self-consistent cluster model

2018 ◽  
Vol 782 ◽  
pp. 42-46 ◽  
Author(s):  
D. Hove ◽  
E. Garrido ◽  
A.S. Jensen ◽  
P. Sarriguren ◽  
H.O.U. Fynbo ◽  
...  
Keyword(s):  
Cluster Model ◽  
Proton Capture ◽  
Self Consistent

Molecular-orbital-self-consistent-field cluster model ofH2O adsorption on copper

1985 ◽  
Vol 32 (2) ◽  
pp. 1430-1433 ◽  
Author(s):  
M. W. Ribarsky ◽  
W. D. Luedtke ◽  
Uzi Landman
Keyword(s):  
Molecular Orbital ◽  
Cluster Model ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Electronic Structure of Pd doped InP

1992 ◽  
Vol 272 ◽  
Author(s):  
P. K. Khowash
Keyword(s):  
Electronic Structure ◽  
Density Of States ◽  
Cluster Model ◽  
Local Density ◽  
Energy Spectra ◽  
Valence Band Edge ◽  
Metal Impurities ◽  
Structure Of Metal ◽  
Self Consistent ◽  
Small Magnetic Moment

ABSTRACTThe electronic structure of metal impurities in III-V semiconductors are interesting because of their ability to create deep centers. We use a spin unrestricted self-consistent local density theory in a cluster model to calculate the charge distributions, one electron energy spectra and the density of states for pure InP and Pd doped InP, substituted at the In site. The pure semiconductor gap is calculated to be 1.44 eV in excellent agreement with the experimental value of 1.41 eV. A small magnetic moment of 0.561μB appears on the Pd site. The impurity introduces a levels of t2 character at 0.01 and 0.04 eV above the valence band edge.

The Mechanism of Slow Component Suppression in Lanthanum Doped Barium Fluoride Crystal

1994 ◽  
Vol 348 ◽  
Author(s):  
Gu Mu ◽  
Chen Lingyan ◽  
Li Qing ◽  
Wang Liming ◽  
Xiang Kaihua
Keyword(s):  
Electronic Structures ◽  
Cluster Model ◽  
Local Density ◽  
Slow Component ◽  
Barium Fluoride ◽  
Molecular Cluster ◽  
Entire System ◽  
Scintillation Light ◽  
Hartree Fock ◽  
Self Consistent

ABSTRACTThe electronic structures of pure BaF2 crystal and lanthanum doped BaF2 crystal have been calculated in a self-consistent molecular-cluster model. The cluster is embedded in the crystal lattice and the entire system treatediteratively in the Hartree-Fock-Slater local-density theory. As lanthanum doped BaF2 is concerned, the obtained results revealed that the F1–i which is introduced by the lanthanum may contribute to the suppression ofthe slow component in the scintillation light of BaF2 crystal.

scholarly journals Spin-cluster model for the low-temperature phase ofα′−NaV2O5

2000 ◽  
Vol 62 (22) ◽  
pp. R14613-R14616 ◽  
Author(s):  
Simon Trebst ◽  
Anirvan Sengupta
Keyword(s):  
Low Temperature ◽  
Cluster Model ◽  
Temperature Phase ◽  
Spin Cluster ◽  
Low Temperature Phase

Surface-Charge Dependent Orientation of Water at the Interface of a Gold Electrode: A Cluster Study

2018 ◽  
Vol 232 (9-11) ◽  
pp. 1583-1592 ◽  
Author(s):  
Gianluca Fazio ◽  
Gotthard Seifert ◽  
Mathias Rapacioli ◽  
Nathalie Tarrat ◽  
Jan-Ole Joswig
Keyword(s):  
Cluster Model ◽  
Gold Electrode ◽  
Density Functional ◽  
Gold Cluster ◽  
Tight Binding ◽  
Periodic Boundary Conditions ◽  
Solvation Shell ◽  
Screening Behavior ◽  
Self Consistent ◽  
Dynamics Simulations

Abstract A gold/water interface has been investigated with the DFT-based self-consistent-charge density-functional tight-binding (SCC-DFTB) method using a cluster model. Born–Oppenheimer molecular-dynamics simulations for mono-, bi-, and trilayers of water on the surface of a Au55 cluster have been computed. We have demonstrated the applicability of this method to the study of the structural and dynamical properties of the gold/water-multilayer interface. The results of the simulations clearly show the charge-dependent orientation and the corresponding polarization of the water sphere around the gold cluster. However, it was also shown that this polarization is restricted almost only to the first solvation shell. This illustrates the rather short-range screening behavior of water. The present study builds the basis for further investigations of metal/electrolyte interfaces on a reliable atomistic level, avoiding the problems of spurious artifacts in models using periodic boundary conditions.

Sign in / Sign up

Export Citation Format

Share Document