Electronic structure of 3d impurities in ferromagnetic iron

نویسندگان

  • P. Léonard
  • N. Stéfanou
چکیده

2014 We present the results of the calculation of the electronic structure of impurities (Ti, V, Cr, Mn, Co, Ni, Cu) diluted in ferromagnetic iron obtained by the method of linear combination of « muffin-tin » orbitals in the atomic sphere approximation (LMTO-ASA). The local moments and the hyperfine fields on the impurity and the electronic specific heat coefficient charges are compared with the experimental data. J. Physique 43 (1982) 1497-1502 OCTOBRE 1982, Classification Physics Abstracts 71. 20

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

Electronic structure, donor and acceptor transitions, and magnetism of 3d impurities in In2O3 and ZnO

3d transition impurities in wide-gap oxides may function as donor/acceptor defects to modify carrier concentrations, and as magnetic elements to induce collective magnetism. Previous first-principles calculations have been crippled by the LDA error, where the occupation of the 3d-induced levels is incorrect due to spurious charge spilling into the misrepresented host conduction band, and have o...

متن کامل

Magnetic 3 d impurities in Nb and MO

We calculate the electronic structure of 3d impurities in niobium and molybdenum. Our calculations rely on the local density approximation of density functional theory. Assuming a muffin-tin description of the atomic potentials, the impurity potential and the ones of the nearest neighbours are calculated self-consistently while the embedding of this perturbed cluster into the host is described ...

متن کامل

The simultaneous effect of 3d impurities of transition metals and oxygen vacancy defect on TiO2 anatase and rutile

In this work, the formation of oxygen-vacancy defect in 3d metals-doped TiO2 anatase and rutile structures is first investigated. The systematic calculations of formation energy, crystalline stability, band structure and density of state (DOS) of TiO2 samples of anatase and rutile doped with 3d transition metals with and without oxygen defect is done using FHI-aims as a software package based o...

متن کامل

خواص مغناطیسی نانولوله گالیوم آرسناید زیگزاگ (0,9) آلایش‌یافته با عناصر واسطه

of 3d transition metals (Sc, Ti, Cr, Mn , Fe, Co, Ni) in both far and close situations were studied based on spin polarised density functional theory using the generalized gradient approximation (LDA) with SIESTA code. The electronic structures show that zigzag (0,9) GaAs nanotubes are non-magnetic semiconductors with direct band gap. It was revealed that doping of 11.11 % Fe and Mn concentrati...

متن کامل

Mn 3d electronic configurations in „Ga1−xMnx...As ferromagnetic semiconductors and their influence on magnetic ordering

We applied x-ray absorption spectroscopy and x-ray magnetic circular dichroism XMCD at the Mn 2p-3d resonances to study the Mn 3d electronic configuration and the coupling of Mn 3d magnetic moments in various Ga1−xMnxAs films. The homogeneity of the Mn depth profile throughout the Ga1−xMnxAs film was tested by additional structure-sensitive x-ray resonant reflectivity measurements. In all inves...

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 2016