منابع مشابه
Reinterpretation of the bond-valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO3
We present a modified bond-valence model of PbTiO3 based on the principles of bond-valence and bond-valence vector conservation. The relationship between the bond-valence model and the bond-order potential is derived analytically in the framework of a tight-binding model. An energy term, bond-valence vector energy, is introduced into the atomistic model and the potential parameters are reoptimi...
متن کاملThe Valence Bond Glass phase
We show that a new glassy phase can emerge in presence of strong magnetic frustration and quantum fluctuations. It is a Valence Bond Glass. We study its properties solving the Hubbard-Heisenberg model on a Bethe lattice within the large N limit introduced by Affleck and Marston. We work out the phase diagram that contains Fermi liquid, dimer and valence bond glass phases. This new glassy phase ...
متن کاملReentrant valence transition in EuO at high pressures: beyond the bond-valence model.
The pressure-dependent relation between Eu valence and lattice structure in model compound EuO is studied with synchrotron-based x-ray spectroscopic and diffraction techniques. Contrary to expectation, a 7% volume collapse at ≈45 GPa is accompanied by a reentrant Eu valence transition into a lower valence state. In addition to highlighting the need for probing both structure and electronic sta...
متن کاملChemical Bonding: The Orthogonal Valence-Bond View
Chemical bonding is the stabilization of a molecular system by charge- and spin-reorganization processes in chemical reactions. These processes are said to be local, because the number of atoms involved is very small. With multi-configurational self-consistent field (MCSCF) wave functions, these processes can be calculated, but the local information is hidden by the delocalized molecular orbita...
متن کاملThe valence bond solid in quasicrystals
A generalized model of Heisenberg quantum antiferromagnet on an arbitrary graph is constructed so that the VBS is the unique ground state. The norm of the base state and equal time multi point correlation functions are computed in terms of generalized hyper geometric functions. For the one-dimensional periodic Heisenberg model we present a method of computing multi point correlation functions b...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 1993
ISSN: 0108-7673
DOI: 10.1107/s0108767378092132