Charge transfer in simple metallic alloys
نویسندگان
چکیده
2014 The concept of electronic charge transfer is a convenient one to study the ionic contribution to the chemical binding in simple metallic alloys. In this paper we analyse several possible definitions of charge transfer. This leads us to introduce several reference alloy states, such that charge transfer is defined as the net difference between the charge of an atomic cell in the reference alloy and the charge of the same cell in the ground state of the alloy. The requirements of internal consistency and consistency with empirical expectations permit us to discriminate between the possible reference states and to select a convenient definition of charge transfer. J. Physique 44 (1983) 229-234 FTVRIER 1983,
منابع مشابه
The Effect of Environmental Parameters on the Corrosion Behavior of Simple Shear Extruded AZ91 Magnesium Alloys
In this study, the effects of forming method (extrusion) and environmental factors (solution pH and temperature) on the corrosion performance of AZ91 magnesium alloys were investigated using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and salt spray techniques. The polarization test results of the specimens showed that simple sh...
متن کاملCharge distributions in metallic alloys: a charge-excess functional theory approach.
The distribution of local charge (DLC) excesses in metallic alloys, previously obtained as a result of the analysis of order N electronic structure calculations, is derived from a variational principle. A phenomenological charge-excess functional theory is obtained which is determined by three concentration dependent, material specific parameters that can be obtained from ab initio calculations...
متن کاملLocal Charge Distributions in Metallic Alloys: a Local Field Coherent Potential Approximation Theory
متن کامل
Spectrophotometrc Methods for the Determination of Ambrisentan Using Charge Transfer Reagents
The color developing reaction between ambrisentan and 2,3-dichloro-5,6-dicyano-1,4- benzoquinone (DDQ) or 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone (CLA) was successfully employed in the development of two simple and sensitive spectrophotometric methods (M1 and M2) for the determination of ambrisentan in its pharmaceutical dosage forms.The methods are based on the charge transfer reaction of ...
متن کاملQuantum mechanically guided design of Co43Fe20Ta(5.5)X(31.5) (X=B, Si, P, S) metallic glasses.
A systematic ab initio molecular dynamics study was carried out to identify valence electron concentration and size induced changes on structure, elastic and magnetic properties for Co(43)Fe(20)Ta(5.5)X(31.5) (X=B, Si, P, S). Short range order, charge transfer and the bonding nature are analyzed by means of density of states, Bader decomposition and pair distribution function analysis. A clear ...
متن کاملذخیره 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 2016