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pro vyhledávání: '"Cooper, Bernard"'
The addition of transition metal elements can significantly modify physical properties of intermetalic compounds. We studied the influence of Molybdenum and Vanadium additives on thermal expansion coefficient (CTE) of Fe/sub 3/Al and FeAl over the wi
Externí odkaz:
http://arxiv.org/abs/cond-mat/0211569
Autor:
Djajaputra, David, Cooper, Bernard R.
We have performed a systematic first-principles computational study of the effects of impurity atoms (boron, carbon, nitrogen, oxygen, silicon, phosporus, and sulfur) on the orbital hybridization and bonding properties in the intermetallic alloy NiAl
Externí odkaz:
http://arxiv.org/abs/cond-mat/0207357
Autor:
Djajaputra, David, Cooper, Bernard R.
We have examined a method of direct extraction of accurate tight-binding parameters from an ab-initio band-structure calculation. The linear muffin-tin potential method, in its full-potential implementation, has been used to provide the hamiltonian a
Externí odkaz:
http://arxiv.org/abs/cond-mat/0205368
Autor:
Djajaputra, David, Cooper, Bernard R.
We have used a full-potential linear muffin-tin orbital method to calculate the effects of oxygen impurities on the electronic structure of NiAl. Using the supercell method with a 16-atom supercell we have investigated the cases where an oxygen atom
Externí odkaz:
http://arxiv.org/abs/cond-mat/0107374
We present an ab initio based method which gives clear insight into the interplay between the hybridization, the coulomb exchange, and the crystal-field interactions, as the degree of 4f localization is varied across a series of strongly correlated c
Externí odkaz:
http://arxiv.org/abs/cond-mat/0002107
Autor:
Djajaputra, David, Cooper, Bernard R.
We discuss the boundary effects on a quantum system by examining the problem of a hydrogen atom in a spherical well. By using an approximation method which is linear in energy we calculate the boundary corrections to the ground-state energy and wave
Externí odkaz:
http://arxiv.org/abs/physics/9912031
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