Electronic structure of Tb0.5Sr0.5MnO3

نویسندگان

چکیده

We study the electronic structure of single-crystal ${\mathrm{Tb}}_{0.5}{\mathrm{Sr}}_{0.5}{\mathrm{MnO}}_{3}$, a non-charge-ordered mixed-valent semiconductor which exhibits glassy magnetic ground state. use techniques soft x-ray photoemission, hard absorption, and resonant photoemission spectroscopy to investigate occupied unoccupied states ${\mathrm{Tb}}_{0.5}{\mathrm{Sr}}_{0.5}{\mathrm{MnO}}_{3}$. Core level absorption allow us determine valence Tb, Sr, Mn ions in Model charge transfer multiplet calculations core spectra are employed separate out ${\mathrm{Mn}}^{3+}$ ${\mathrm{Mn}}^{4+}$ confirm their relative concentrations. Resonant across $2p\text{\ensuremath{-}}3d$ threshold shows clear enhancement $3d$ partial density two-hole correlation satellites. A Cini-Sawatzky analysis gives on-site Coulomb energy ${U}_{dd}\phantom{\rule{4pt}{0ex}}\ensuremath{\sim}\phantom{\rule{4pt}{0ex}}5.5\ifmmode\pm\else\textpm\fi{}0.2$ eV for $3{d}^{n}$ ${U}_{pd}$ = 0.7 $\mathrm{eV}\ifmmode\pm\else\textpm\fi{}0.2$ $3{d}^{n+1}{\underline{L}}^{1}$ states. The O $1s\text{\ensuremath{-}}2p$ is used identify $2p$ satellite provides ${U}_{pp}\phantom{\rule{4pt}{0ex}}\ensuremath{\sim}\phantom{\rule{4pt}{0ex}}3.4\ifmmode\pm\else\textpm\fi{}0.2$ Valence band indicates small-gap ($<100$ meV) consistent with electrical transport measurements. estimated parameters energies, combination hybridization strength obtained from model calculations, indicate that ${\mathrm{Tb}}_{0.5}{\mathrm{Sr}}_{0.5}{\mathrm{MnO}}_{3}$ strongly correlated type semiconductor.

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

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

An Iridatropylium Cation: Investigation of Electronic Structure

A study of the [C6 H6 Ir(PH3 )3 ]+ iridatropylium cation structure based on frontier orbital analysis, thermodynamic analysis, and natural bond orbital (NBO) theory is the main aim of the present research. Also, HOMO, LUMO energies, hardness, electrophilicity and chemical potential were calculated. Structural analysis indicated the optimized geometry shows a good agreement with the experimental...

متن کامل

Electronic band structure of a Carbon nanotube superlattice

By employing the theoretical method based on tight-binding, we study electronic band structure of single-wall carbon nanotube (CNT) superlattices, which the system is the made of the junction between the zigzag and armchair carbon nanotubes. Exactly at the place of connection, it is appeared the pentagon–heptagon pairs as topological defect in carbon hexagonal network. The calculations are base...

متن کامل

Electronic band structure of a Carbon nanotube superlattice

By employing the theoretical method based on tight-binding, we study electronic band structure of single-wall carbon nanotube (CNT) superlattices, which the system is the made of the junction between the zigzag and armchair carbon nanotubes. Exactly at the place of connection, it is appeared the pentagon–heptagon pairs as topological defect in carbon hexagonal network. The calculations are base...

متن کامل

An Ab initio Investigation of Pyrene Electronic Structure

Polycyclic aromatic hydrocarbons (PAHs) are a class of compounds consisting of more than twobenzene rings fused in a linear, angular, or clustered arrangement and do not contain hetero atomsor carry subsistent. PAHs originate from various sources. They are primarily formed byincomplete combustion of carbon-containing fuels such as wood, coal, diesel, fat, or tobacco. Thepresent study reports an...

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

ژورنال

عنوان ژورنال: Physical review

سال: 2021

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.103.245131