Results 1 to 10 of about 883,404 (248)

Excited states in the twisted XXZ spin chain

open access: yes, 1999
We compute the finite size spectrum for the spin 1/2 XXZ chain with twisted boundary conditions, for anisotropy in the regime $0< \gamma
Alcaraz F C   +14 more
core   +1 more source

On the use of the group SO(4,2) in atomic and molecular physics

open access: yes, 2004
In this paper the dynamical noninvariance group SO(4,2) for a hydrogen-like atom is derived through two different approaches. The first one is by an established traditional ascent process starting from the symmetry group SO(3). This approach is presented
Alliluyev SP   +54 more
core   +5 more sources

On the Importance of σ–Hole Interactions in Crystal Structures

open access: yesCrystals, 2021
Elements from groups 14–18 and periods 3–6 commonly behave as Lewis acids, which are involved in directional noncovalent interactions (NCI) with electron-rich species (lone pair donors), π systems (aromatic rings, triple and double bonds) as well as ...
Antonio Frontera, Antonio Bauzá
doaj   +1 more source

Icosahedral quasicrystal and 1/1 cubic approximant in Au-Al-Yb alloys

open access: yes, 2011
A P-type icosahedral quasicrystal is formed in Au-Al-Yb alloy of which 6-dimensional lattice parameter a6D = 7.448 {\AA}. The composition of the quasicrystal was analyzed to be Au51Al34Yb15.
Pearson WB   +3 more
core   +1 more source

A theoretical study of the structural phases of Group 5B - 6B metals and their transport properties

open access: yes, 2002
In order to predict the stable and metastable phases of the bcc metals in the block of the Periodic Table defined by groups 5B to 6B and periods 4 to 6, as well as the structure dependence of their transport properties, we have performed full potential ...
Allen P. B.   +28 more
core   +1 more source

Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

open access: yesAIP Advances, 2017
The possibility of metastable existence of planar and non-chiral nanotubular crystalline lattices in the form of Kepler nets of 34324, 3342, and 346 types (the notations are given in Schläfly symbols), using ab initio calculations, has researched.
Aleksey I. Kochaev
doaj   +1 more source

Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations

open access: yesCrystals, 2023
Noncovalent interactions involving metals as electron acceptors are continuously under investigation. The term “matere bond” has been proposed to identify noncovalent donor–acceptor interactions where elements of group 7 of the periodic table play the ...
Sergi Burguera   +3 more
doaj   +1 more source

Effects of nanoscale spatial inhomogeneity in strongly correlated systems

open access: yes, 2005
We calculate ground-state energies and density distributions of Hubbard superlattices characterized by periodic modulations of the on-site interaction and the on-site potential. Both density-matrix renormalization group and density-functional methods are
A. L. Malvezzi   +6 more
core   +1 more source

Substitutional 4d and 5d Impurities in Graphene

open access: yes, 2016
We describe the structural and electronic properties of graphene doped with substitutional impurities of 4d and 5d transition metals. The binding energy and distances for 4d and 5d metals in graphene show similar trends for the later groups in the ...
Aguilera-Granja, Faustino   +2 more
core   +1 more source

Phonon-glass electron-crystal thermoelectric clathrates: Experiments and theory [PDF]

open access: yes, 2014
Type-I clathrate compounds have attracted a great deal of interest in connection with the search for efficient thermoelectric materials. These compounds constitute networked cages consisting of nano-scale tetrakaidecahedrons (14 hedrons) and ...
Kaneshita, Eiji   +3 more
core   +2 more sources

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