Mean field theory calculations to model single-crystal diffuse scattering

نویسندگان

چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود 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

Mean field calculations of nucleon-nucleus scattering.

Corrections to the first order term of the multiple scattering expansion of the nucleon-nucleus optical potential due to the propagation of the projectile nucleon in the target nucleus mean field are estimated. The effects of nonlocalities of the nucleon-nucleon transition amplitude are included. Calculations are performed for nucleon scattering from O and Pb at 100, 200, and 400 MeV incident e...

متن کامل

Monte Carlo Modelling of Single-Crystal Diffuse Scattering from Intermetallics

Single-crystal diffuse scattering (SCDS) reveals detailed structural insights into materials. In particular, it is sensitive to two-body correlations, whereas traditional Bragg peak-based methods are sensitive to single-body correlations. This means that diffuse scattering is sensitive to ordering that persists for just a few unit cells: nanoscale order, sometimes referred to as “local structur...

متن کامل

Dynamical mean-field theory and electronic structure calculations

We formulate the dynamical mean field theory directly in the continuum. For a given definition of the local Green’s function, we show the existence of a unique functional, whose stationary point gives the physical local Green’s function of the solid. We present the diagrammatic rules to calculate it perturbatively in the interaction. Approximations which may be used in the strong coupling regim...

متن کامل

Decoupling method for dynamical mean-field theory calculations

In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite U Hubbard model, the periodic Anderson model and the pd model. This simpl...

متن کامل

Electronic structure calculations with dynamical mean-field theory

A review of the basic ideas and techniques of the spectral density-functional theory is presented. This method is currently used for electronic structure calculations of strongly correlated materials where the one-electron description breaks down. The method is illustrated with several examples where interactions play a dominant role: systems near metal-insulator transitions, systems near volum...

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: Acta Crystallographica

سال: 2021

ISSN: ['2053-2733']

DOI: https://doi.org/10.1107/s0108767321093764