A correlation between atomic volume and the square of the atomic magnetic moment for d group transition metals: Application

1975 ◽  
Author(s):  
W. F. Schlosser
Keyword(s):  
Transition Metals ◽  
Magnetic Moment ◽  
Atomic Volume ◽  
Atomic Magnetic Moment

Magnetic moment and atomic volume in supersaturated Fe–Cu solid solutions: Ab initiocalculations compared with experiments

2000 ◽  
Vol 15 (3) ◽  
pp. 653-658 ◽  
Author(s):  
Wenqing Zhang ◽  
E. Ma
Keyword(s):  
Ab Initio ◽  
Solid Solutions ◽  
Magnetic Moment ◽  
High Spin State ◽  
Atomic Volume ◽  
Heat Of Mixing ◽  
Full Potential ◽  
Face Centered Cubic ◽  
Generalized Gradient ◽  
Pronounced Increase

The properties of nonequilibrium face-centered-cubic (fcc) and body-centered-cubic (bcc) Fe–Cu alloys were studied using the first-principles full-potential linearized augmented plane wave method within the generalized gradient approximation. The ab initio calculation results are compared quantitatively with the magnetic moment and atomic volume observed for mechanically alloyed FexCu100–x (x = 0 to 100) supersaturated bcc and fcc solid solutions. The calculations show that Cu alloying leads to a small enhancement of the magnetic moment of bcc Fe. The fcc Fe moment, on the other hand, experiences a more pronounced increase into a high-spin state upon alloying with Cu. It reaches approximately the same value as that in the bcc alloys for all Cu concentrations where fcc solutions are obtained in experiments, corroborating previous ab initio calculations using different methods. The magnetic moment increases are accompanied by an atomic volume expansion. Both the calculated moment and volume behavior are in good agreement with those measured for fcc and bcc Fe–Cu solutions. The magnetovolume expansion upon magnetic interaction between the alloyed Fe and Cu, rather than the positive heat of mixing, constitutes the primary reason for the atomic volume increase observed.

scholarly journals Chemical Mesoscopics Notions in the Explanation of Polymeric Materials Modification Mechanism with Participation of Metal Carbon Mesocomposites

2021 ◽  
Vol 2 (2) ◽  
Author(s):  
V. I. Kodolov ◽  
V. V. Kodolova-Chukhontseva ◽  
I. N. Shabanova ◽  
N. S. Terebova ◽  
Yu. V. Pershin ◽  
...  
Keyword(s):  
Magnetic Moment ◽  
Polymeric Materials ◽  
Magnetic Characteristics ◽  
Nanosized Particles ◽  
Atomic Magnetic Moment ◽  
Materials Properties ◽  
The Creation ◽  
Unpaired Electrons

The paper is dedicated to the consideration of the chemical mesoscopics notions application for the explanation of polymeric materials modification mechanism by the metal carbon mesoscopic composites. The main peculiarities of these nanosized particles are following: a) the presence of unpaired electrons on the carbon cover; b) the structure of carbon cover consists from poly acetylene and carbine fragments; c) the atomic magnetic moment of inner metal is equaled to more than 1,3 μB. The creation of reactive mesoscopic materials with regulated magnetic characteristics which can find the application as modifiers of materials properties is very topical. The present investigation has fundamental character. It’s based on the ideas concerning to the metal carbon mesocomposites reactivity depending on the medium and conditions influence because of the possible changes of the phase coherency and quantization of negative charges.

Alkinylverbindungen von Übergangsmetallen, XXXVIII [1]. Komplexe Mangan(II)-Verbindungen des 1.2-Diethinylbenzols / Alkynyl Compounds of Transition Metals, XXXVIII [1]. Complex Manganese(II) Compounds of 1,2-Diethynylbenzene

1980 ◽  
Vol 35 (2) ◽  
pp. 248-249 ◽  
Author(s):  
Reinhard Nast ◽  
Amelia Santos
Keyword(s):  
Transition Metals ◽  
High Spin ◽  
Magnetic Moment ◽  
Potassium Salt ◽  
Liquid Ammonia ◽  
Solid Compounds

The high-spin d5 complexes M2Mn(1,2-C6H4(C≡C)2)2 (M = K, Na) are prepared in liquid ammonia according to equation (1). The magnetic moment and the position of the IR-active υC ≡ C of the potassium salt are discussed with respect to the structure of the solid compounds.

FORMATION OF MAGNETIC MOMENTS IN INTERMETALLIC COMPOUNDS AND ALLOYS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 756-759 ◽  
Author(s):  
T. BEUERLE ◽  
K. HUMMLER ◽  
M. FÄHNLE
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Intermetallic Compounds ◽  
Magnetic Moment ◽  
Nearest Neighbor ◽  
Physical Mechanism ◽  
Magnetic Moments ◽  
Lmto Method ◽  
Minimum Number ◽  
Alloy Systems

Jaccarino and Walker proposed that in certain alloy systems a considered kind of atom attains a constant value of the magnetic moment if it is surrounded by at least a minimum number of nearest-neighbor atoms of a certain kind, and that it is nonmagnetic otherwise. It is shown by ab initio supercell calculations within the LMTO method that the system Nbi−xMox with 1% iron approximately fulfills the Jaccarino-Walker hypothesis, whereas the alloy FexRh1−x does not. The physical mechanism for the destruction of the Fe moment in bcc alloys with 4d and 5d transition metals is elucidated.

ATOMIC MAGNETIC MOMENT AND ELECTRONIC STRUCTURE OF Fe-B AMORPHOUS ALLOYS BASED ON X-RAY PHOTOELECTRON SPECTROSCOPY

1993 ◽  
Vol 07 (01n03) ◽  
pp. 926-929 ◽  
Author(s):  
I.G. BATIREV ◽  
J.A. LEIRO ◽  
M. HEINONEN
Keyword(s):  
Electronic Structure ◽  
Magnetic Moment ◽  
Photoelectron Spectroscopy ◽  
Amorphous Alloys ◽  
Ferromagnetic State ◽  
Specific Charge ◽  
Exchange Splitting ◽  
Potential Approximation ◽  
Atomic Magnetic Moment ◽  
X Ray

The electronic structure of amorphous and crystalline Fe100–xBx alloys for 14≤x≤19.5 has been studied by x-ray photoelectron spectroscopy and calculated in terms of the modified coherent potential approximation. Exchange splitting measurements of 3s-spectra were used to estimate the atomic magnetic moment of the Fe atom in Fe-B amorphous and crystalline alloys. These results agree qualitatively with saturation magnetization measurements including the deviation from the Slater-Pauling curve. This deviation according to our calculations is the result of the specific charge transfer of s, p and d electrons at about 15.5 at % B. The calculation in ternary alloy approach shows a stable ferromagnetic state of Fe atoms for the studied alloy concentrations.

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