First-principles calculation of X-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code-Reference-Cited by-同舟云学术

First-principles calculation of X-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code

Published:2012-03 Issue:3 Volume:183 Page:628-636
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Pardini Lorenzo,Bellini Valerio,Manghi Franca,Ambrosch-Draxl Claudia

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference37 articles.

1. X-ray circular dichroism as a probe of orbital magnetization

2. X-ray circular dichroism and local magnetic fields

3. Wien2k, An augmented plane wave + local orbitals program for calculating crystal properties;Blaha,2001

4. Linear optical properties of solids within the full-potential linearized augmented planewave method

5. Electronic Structure and Physical Properties of Solids;Ebert,2000

Cited by 14 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. First-principles study to probe the effect of substitution at X and Z sites on the electronic, magnetic and transport properties of Co2X(V, Nb, Ta)Z(Al, Ga, In, Si, Ge, Sn) Heusler alloys;Solid State Communications;2023-01

2. Chiral structures of electric polarization vectors quantified by X-ray resonant scattering;Nature Communications;2022-04-05

3. X-ray spectra in the magnetic van der Waals materials Fe3GeTe2, CrI3, and CrGeTe3 : A first-principles study;Physical Review B;2021-04-06

4. Magnetic anisotropy in Cr2GeC investigated by X-ray magnetic circular dichroism and ab initio calculations;Journal of Magnetism and Magnetic Materials;2020-05

5. Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches;Catalysis Today;2019-10