2,438 research outputs found
The Terminology in Philippians Directed to, and Influenced by, Local Conditions
The reader of the New Testament is ever aware that the Book he is reading has been written under the inspiration of God. He is not merely reading the results or man\u27s wisdom, but he is opening his mind and heart to receive God\u27s revelation of judgment and mercy presented in written words through the agents whom He Himself appointed. This often results in misunderstanding regarding the Biblical view of inspiration. Questions such as these often arise: “If this is God\u27s Word, what part does the human author play?” Is this inspiration a mechanical rendering whereby the author loses all personal identity? Does the author have any freedom in the formulation of his writings? It is to these questions that this thesis is directed, and it will be shown that the \u27\u27human element” is not forced into the background in the writings of the New Testament. While the New Testament is God’s Word and written by men moved by the Holy Ghost (2 Pet. 1:21), yet the writers wrote in accordance with their own style and in language which their hearers knew and understood
Magnetic-induced phonon anisotropy in ZnCrO from first principles
We have studied the influence of magnetic order on the optical phonons of the
geometrically frustrated spinel ZnCrO from first-principles. By mapping
the first-principles phonon calculations onto a Heisenberg-like model, we
developed a method to calculate exchange derivatives and subsequently the
spin-phonon couping parameter from first-principles. All calculations were
performed within LSDA+U
Half-Heusler semiconductors as piezoelectrics
One of the central challenges in materials science is the design of
functional and multifunctional materials, in which large responses are produced
by applied fields and stresses. A rapidly developing paradigm for the rational
design of such materials is based on the first-principles study of a large
materials family, the perovskite oxides being the prototypical case.
Specifically, first-principles calculations of structure and properties are
used to explore the microscopic origins of the functional properties of
interest and to search a large space of equilibrium and metastable phases to
identify promising candidate systems. In this paper, we use a first-principles
rational-design approach to demonstrate semiconducting half-Heusler compounds
as a previously-unrecognized class of piezoelectric materials, and to provide
guidance for the experimental realization and further investigation of
high-performance materials suitable for practical applications.Comment: 5 pages, 3 figues, 3 table
Hexagonal as semiconducting ferroelectrics
We use a first-principles rational-design approach to identify a
previously-unrecognized class of ferroelectric materials in the LiGaGe
structure type. We calculate structural parameters, polarization and
ferroelectric well depths both for reported and as-yet hypothetical
representatives of this class. Our results provide guidance for the
experimental realization and further investigation of high-performance
materials suitable for practical applications.Comment: 5 pages, 2 figures, 3 table
High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding
A first principles embedded cluster approach is used to calculate O chemical
shielding tensors, sigma, in prototypical transition metal oxide ABO_3
perovskite crystals. Our principal findings are 1) a large anisotropy of sigma
between deshielded sigma_x ~ sigma_y and shielded sigma_z components (z along
the Ti-O bond); 2) a nearly linear variation, across all the systems studied,
of the isotropic sigma_iso and uniaxial sigma_ax components, as a function of
the B-O-B bond asymmetry. We show that the anisotropy and linear variation
arise from large paramagnetic contributions to sigma_x and sigma_y due to
virtual transitions between O(2p) and unoccupied B(nd) states. The calculated
isotropic delta_iso and uniaxial delta_ax chemical shifts are in good agreement
with recent BaTiO_3 and SrTiO_3 single crystal 17O NMR measurements. In PbTiO_3
and PbZrO_3, calculated delta_iso are also in good agreement with NMR powder
spectrum measurements. In PbZrO_3, delta_iso calculations of the five
chemically distinct sites indicate a correction of the experimental
assignments. The strong dependence of sigma on covalent O(2p)-B(nd)
interactions seen in our calculations indicates that 17O NMR spectroscopy,
coupled with first principles calculations, can be an especially useful tool to
study the local structure in complex perovskite alloys.Comment: 12 pages, 3 figures, and 3 Table
- …