A Microscopic Theory of a Single Hydrogen Centre in a Magnesium Crystal*

نویسنده

  • M. Gnirß
چکیده

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namensnennung 4.0 Lizenz. A Microscopic Theory of a Single Hydrogen Centre in a Magnesium Crystal*

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Electron Density Distribution of a Single Hydrogen Perturbation in a Metal Lattice

The electronic structure of hydrogen centres stored in a metal crystal is described by a microscopic theory based on a functional energy difference method. That formalism works in a suitably chosen tensor product space built on a physical quasi-particle vacuum state. A transformation back to a bare Fock space representation is shown. This transformation operator divides the functional eigenvalu...

متن کامل

The effect of alkaline earth metals (Magnesium and Calcium) on Hydrogen storage efficiency of alanate nanopowders

Different Aluminum: alkaline earth metal atomic weight ratios effects on structure transformations in alanates nanopowders were studied. Changes in crystal structures from alane to alanates by increasing alkaline earth metals dopants in the mixture with slight changes in crystal structures from rhombohedral centered – trigonal (alane) to trigonal (magnesium alanate), and monoclinic (calcium ala...

متن کامل

The effect of alkaline earth metals (Magnesium and Calcium) on Hydrogen storage efficiency of alanate nanopowders

Different Aluminum: alkaline earth metal atomic weight ratios effects on structure transformations in alanates nanopowders were studied. Changes in crystal structures from alane to alanates by increasing alkaline earth metals dopants in the mixture with slight changes in crystal structures from rhombohedral centered – trigonal (alane) to trigonal (magnesium alanate), and monoclinic (calcium ala...

متن کامل

Studies on the Optical, Mechanical and Dielectric Properties of Nonlinear Optical Single Crystal Bis (Guanidinium) Hydrogen Phosphate Monohydrate (G2HP)

Single crystals of nonlinear optical material bis (guanidinium) hydrogen phosphate monohydrate (G2HP) belonging to non centrosymmetric space group P 21c were successfully grown by the slow evaporation method. Optical transmittance and second harmonic generation of the grown crystals have been studied by UV-vis-NIR spectrum and Kurtz powder technique respectively. The transmittance of G2HP cryst...

متن کامل

Density Functional Studies on Crystal Structure and electronic properties of Potassium Alanate as a candidate for Hydrogen storage

Potassium Alanate is one of the goal candidates for hydrogen storage during past decades. In this report, initially the Density Functional Theory was applied to simulate the electronic and structural characteristic of the experimentally known KAlH4 complex hydride. The relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2012