Local Chemical Environments and the Phonon Partial Densities of States of 57 Fe in 57 Fe 3

نویسندگان

  • T. A. Stephens
  • W. Sturhahn
  • T. S. Toellner
  • E. E. Alp
چکیده

Inelastic nuclear resonant scattering spectra were measured on alloys of Fe3Al that were chemically disordered, partially ordered, and D03 ordered. The features in the phonon partial density of states of 57Fe were found to change systematically with chemical short-range order in the alloy. Changes in the phonon partial density of states were modeled successfully by assigning vibrational spectra to 57Fe atoms in different first-nearest-neighbor chemical environments. [S0031-9007(98)05811-6]

برای دانلود 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

Partial phonon densities of states of Fe in Fe-Cr: Analysis by a local-order cluster expansion

Nuclear resonant inelastic x-ray scattering spectra were measured for Fe in disordered body-centered-cubic alloys of Fe-Cr. Partial phonon density of states DOS curves were obtained from these data. These results, in conjunction with the results of Ruckert et al. Hyperfine Interact. 126, 363 2000 on Fe-Cr thin-film multilayers and alloys, were analyzed with a local-order cluster expansion metho...

متن کامل

Atom clusters and vibrational excitations in chemically - disordered Pt 3 57 Fe

Inelastic nuclear resonant scattering spectra of Fe atoms were measured on crystalline alloys of Pt3 Fe that were chemically disordered, partially ordered, and L12 ordered. Phonon partial density of states curves for Fe were obtained from these spectra. Upon disordering, about 10% of the spectral intensity underwent a distinct shift from 25 to 19 meV. This change in optical modes accounted for ...

متن کامل

(57)Fe Mössbauer isomer shifts of heme protein model systems: electronic structure calculations.

We report the results of density functional theory (DFT) calculations of the (57)Fe Mössbauer isomer shifts (delta(Fe)) for a series of 24 inorganic, organometallic, and metalloprotein/metalloporphyrin model systems in S = 0, (1)/(2), 1, (3)/(2), 2, and (5)/(2) spin states. We find an excellent correlation between calculation and experiment over the entire 2.34 mm s(-1) range of isomer shifts: ...

متن کامل

PARTIAL QUADRUPOLE SPLITTING OF Fe-57 SPECIES PRODUCED FROM Co-57-LABELLED WERNER COMPLEXES

The quadrupole splittin values of the species produced from 'the 57~o(~~)57~e process were investigated in the various 58Co-labelled Werner-type co-ordination compounds. One of the two components of the decayed species found in the emission Mijssbauer svectra was assigned to high-spin species of Fe(I1) pr_oduced after the EC-decay based on their large quadrupole splittings and isomer shifts. Th...

متن کامل

Spectroscopic Investigations of [FeFe] Hydrogenase Maturated with [(57)Fe2(adt)(CN)2(CO)4](2-).

The preparation and spectroscopic characterization of a CO-inhibited [FeFe] hydrogenase with a selectively (57)Fe-labeled binuclear subsite is described. The precursor [(57)Fe2(adt)(CN)2(CO)4](2-) was synthesized from the (57)Fe metal, S8, CO, (NEt4)CN, NH4Cl, and CH2O. (Et4N)2[(57)Fe2(adt)(CN)2(CO)4] was then used for the maturation of the [FeFe] hydrogenase HydA1 from Chlamydomonas reinhardti...

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

برای دانلود 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

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 1956