The paper continues to present the results of an extended quantum-chemical study of the Si(111)7 X 7 surface unit cell. It addresses the charge and spin density distributions over the unit cell atoms while the previous paper, Part I (Phys. Low-Dim.Struct., 11/12 (1996) 1) was related to the surface reconstruction motives as well as to energy and structure of different equilibrium configurations. Two lowest-energy configurations related to the triplet and singlet spin states and full consistent with the DAS model are analyzed in the study. A ferromagnetic behaviour of the triplet configuration is discussed
Density functional theory calculations have been performed on slabs of crystalline silicon. The unre...
The electronic structure of the Si (111)-(2 71) surface is analyzed by comparing different reconstru...
The electronic structure of the Si (111)-(2×1) surface is analyzed by comparing different reconstruc...
The paper continues to present the results of an extended quantum-chemical study of the Si(111)7 X 7...
The dangling-bond concept of bare surfaces of covalent crystals is reconsidered in terms of molecula...
The dangling-bond concept of bare surfaces of covalent crystals is reconsidered in terms of molecula...
When discussing bare surfaces of silicon crystal, the concept of dangling bonds is widely used. The ...
Density functional theory calculations have been performed on slabs of crystalline silicon. The unre...
AM1-based quantum-chemical semiempirical study has been performed for a nine-layer cluster containin...
The creation of magnetism on nonmagnetic semiconductor surfaces is of importance for the realization...
AM1-based quantum-chemical semiempirical study has been performed for a nine-layer cluster containin...
The surface structures of the Si(113)-(1 X 1), Si(113)-(3 X 1) and Si(113)-(3 X 2) have been studied...
The atomic structure of the Si(111) 7??7 surface was investigated using the improved kinematic low e...
ABSTRACT: The role of spin polarization on adsorption of atomic and molecular hydrogen on Si(111)(1 ...
We have observed surface states indigenous to the Si(111) 7×7 superlattice with the tunneling micros...
Density functional theory calculations have been performed on slabs of crystalline silicon. The unre...
The electronic structure of the Si (111)-(2 71) surface is analyzed by comparing different reconstru...
The electronic structure of the Si (111)-(2×1) surface is analyzed by comparing different reconstruc...
The paper continues to present the results of an extended quantum-chemical study of the Si(111)7 X 7...
The dangling-bond concept of bare surfaces of covalent crystals is reconsidered in terms of molecula...
The dangling-bond concept of bare surfaces of covalent crystals is reconsidered in terms of molecula...
When discussing bare surfaces of silicon crystal, the concept of dangling bonds is widely used. The ...
Density functional theory calculations have been performed on slabs of crystalline silicon. The unre...
AM1-based quantum-chemical semiempirical study has been performed for a nine-layer cluster containin...
The creation of magnetism on nonmagnetic semiconductor surfaces is of importance for the realization...
AM1-based quantum-chemical semiempirical study has been performed for a nine-layer cluster containin...
The surface structures of the Si(113)-(1 X 1), Si(113)-(3 X 1) and Si(113)-(3 X 2) have been studied...
The atomic structure of the Si(111) 7??7 surface was investigated using the improved kinematic low e...
ABSTRACT: The role of spin polarization on adsorption of atomic and molecular hydrogen on Si(111)(1 ...
We have observed surface states indigenous to the Si(111) 7×7 superlattice with the tunneling micros...
Density functional theory calculations have been performed on slabs of crystalline silicon. The unre...
The electronic structure of the Si (111)-(2 71) surface is analyzed by comparing different reconstru...
The electronic structure of the Si (111)-(2×1) surface is analyzed by comparing different reconstruc...