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First-principles study of structural, electronic and elastic properties of Nb4AlC3
MAX phases Ab initio Structural properties Electronic properties Elastic properties Pressure effect
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2010/6/30
Using First-principles calculations, we have studied the structural, electronic and elastic properties of Nb4AlC3, a new compound belonging to the MAX phases. Geometrical optimization of the unit cell...
Working principles of the energy measurement system at BEPCⅡ
energy measurement system laser electron HPGe detector
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2009/8/13
The proposed beam energy measurement system at BEPCⅡ is composed
of three parts: the laser source and optics system, the laser-electron interaction system and the HPGe detector system. The working pr...
First-principles calculations of structural, electronic and optical properties of Zinc-blende Six Ge1-x C alloys
Alloys Lattice parameter Bulk modulus Electronic structure Band-gap Gap bowing Optical properties
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2010/4/8
We present first-principles calculations of the structural, electronic and optical properties of zinc-blende Six Ge1-x C alloys by application of the full potential linearized augmented plane wave (FP...
A First-Principles Study of Cr Impurities in Iron
Iron-chromium alloys Hyperfine field Magnetic properties Electronic structure Transition metals
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2010/10/13
The first-principles molecular cluster discrete variational method (DV) is used to investigate the electronic structure and local magnetic properties of Cr impurities in bcc iron and Fe/Cr interfaces....