Proposed parameter-free model for interpreting the measured positron annihilation spectra of materials using a generalized gradient approximation.

نویسندگان

  • Bernardo Barbiellini
  • Jan Kuriplach
چکیده

Positron annihilation spectroscopy is often used to analyze the local electronic structure of materials of technological interest. Reliable theoretical tools are crucial to interpret the measured spectra. Here, we propose a parameter-free gradient correction scheme for a local-density approximation obtained from high-quality quantum Monte Carlo data. The results of our calculations compare favorably with positron affinity and lifetime measurements, opening new avenues for highly precise and advanced positron characterization of materials.

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

Advanced characterization of lithium battery materials with positrons

Cathode materials are crucial to improved battery performance, in part because there are not yet materials that can maintain high power and stable cycling with a capacity comparable to that of anode materials. Our parameter-free, gradient-corrected model for electron-positron correlations predicts that spectroscopies based on positron annihilation can be deployed to study the effect of lithium ...

متن کامل

Positron annihilation lifetime spectroscopy in nickel ferrite and iron oxide nanopowders

In this study, a positron annihilation lifetime spectrometer was set up and its resolution was optimized. The spectrometer is a fast-slow arrangement with time resolution of 250 ps. To obtain lifetime components and their intensities from analyzing positron annihilation lifetime spectrum, the Pascual software is used. Positrons are from a source of radioactive 22NaCl with 20 μCi activity enclos...

متن کامل

A Comparative Study of the Construction of Positron Emission Tomography/Computed Tomography Facilities in Three South African Hospitals

Introduction: Development of higher energy modalities such as positron emission tomography/computed tomography (PET/CT), has led to more complex shielding problems. This is due to several factors, such as the radiopharmaceutical relatively high-administered activity, high patient throughput, and high energies of 511 kilo-electron volt (keV) positron annihilation photon...

متن کامل

Free vibration and wave propagation of thick plates using the generalized nonlocal strain gradient theory

In this paper, a size-dependent first-order shear deformation plate model is formulated in the framework of the higher-order generalized nonlocal strain-gradient (GNSG) theory. This modelemploys ...

متن کامل

Improved generalized gradient approximation for positron states in solids

Several first-principles calculations of positron-annihilation characteristics in solids have added gradient corrections to the local-density approximation within the theory by Arponen and Pajanne [Ann. Phys. (NY) 121, 343 (1979)] since this theory systematically overestimates the annihilation rates. As a further remedy, we propose to use gradient corrections for other local-density approximati...

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:
  • Physical review letters

دوره 114 14  شماره 

صفحات  -

تاریخ انتشار 2015