Ab initio calculations of X-ray magnetic circular dichroism spectra within the projector augmented wave method: An implementation into the VASP code

Computer Physics Communications ◽

10.1016/j.cpc.2016.05.022 ◽

2016 ◽

Vol 207 ◽

pp. 136-144 ◽

Author(s):

Anant Dixit ◽

M. Alouani

Keyword(s):

Circular Dichroism ◽

Ab Initio Calculations ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Wave Method ◽

Circular Dichroism Spectra ◽

X Ray ◽

Projector Augmented Wave ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Ab initio calculation of X-ray magnetic circular dichroism spectra

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2003.12.422 ◽

2004 ◽

Vol 272-276 ◽

pp. 477-478

Author(s):

Manabu Takahashi ◽

Jun-ichi Igarashi

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Calculation ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

X Ray ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Ab-initio study of X-ray absorption and X-ray magnetic circular dichroism spectra of Mn2PtGa and Co2PtGa alloys

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2018.06.082 ◽

2018 ◽

Vol 466 ◽

pp. 143-149

Author(s):

Tufan Roy ◽

Arup Banerjee ◽

Rajeev Dutt ◽

J. Nayak ◽

M. Maniraj ◽

...

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Ab Initio Study ◽

Circular Dichroism Spectra ◽

X Ray ◽

X Ray Absorption ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(ii) complexes

Dalton Transactions ◽

10.1039/b902743b ◽

2009 ◽

pp. 6021 ◽

Author(s):

Mahesh Sundararajan ◽

Dmitry Ganyushin ◽

Shengfa Ye ◽

Frank Neese

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Zero Field Splitting ◽

Circular Dichroism Spectra ◽

Field Splitting ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Erratum: X-ray magnetic-circular-dichroism spectra on the superparamagnetic transition-metal ion clusters Mn12 and Fe8 [Phys. Rev. B64, 132413 (2001)]

Physical Review B ◽

10.1103/physrevb.65.109903 ◽

2002 ◽

Vol 65 (10) ◽

Author(s):

P. Ghigna ◽

A. Campana ◽

A. Lascialfari ◽

A. Caneschi ◽

D. Gatteschi ◽

...

Keyword(s):

Circular Dichroism ◽

Transition Metal ◽

Metal Ion ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Transition Metal Ion ◽

X Ray ◽

Ion Clusters ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

An ab Initio Linear Response Method for Computing Magnetic Circular Dichroism Spectra with Nonperturbative Treatment of Magnetic Field

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00095 ◽

2019 ◽

Vol 15 (5) ◽

pp. 3162-3169 ◽

Author(s):

Shichao Sun ◽

David Williams-Young ◽

Xiaosong Li

Keyword(s):

Magnetic Field ◽

Circular Dichroism ◽

Ab Initio ◽

Linear Response ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Response Method ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Theoretical calculation of x-ray magnetic circular dichroism spectra for Gd/Cu multilayers at the Cu K edge

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/17/37/014 ◽

2005 ◽

Vol 17 (37) ◽

pp. 5785-5794 ◽

Author(s):

J Minár ◽

A Perlov ◽

H Ebert ◽

H Hashizume

Keyword(s):

Circular Dichroism ◽

Theoretical Calculation ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

X Ray ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Electron-yield saturation effects inL-edge x-ray magnetic circular dichroism spectra of Fe, Co, and Ni

Physical Review B ◽

10.1103/physrevb.59.6421 ◽

1999 ◽

Vol 59 (9) ◽

pp. 6421-6429 ◽

Author(s):

Reiko Nakajima ◽

J. Stöhr ◽

Y. U. Idzerda

Keyword(s):

Circular Dichroism ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

X Ray ◽

Electron Yield ◽

Saturation Effects ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

The role of the spin polarization in x-ray magnetic circular dichroism spectra of itinerant magnets

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/9/18/002 ◽

1997 ◽

Vol 9 (18) ◽

pp. L259-L265 ◽

Author(s):

Gerrit van der Laan

Keyword(s):

Circular Dichroism ◽

Spin Polarization ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

X Ray ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Influence of laser-excited electron distributions on the X-ray magnetic circular dichroism spectra: Implications for femtosecond demagnetization in Ni

EPL (Europhysics Letters) ◽

10.1209/0295-5075/86/57002 ◽

2009 ◽

Vol 86 (5) ◽

pp. 57002 ◽

Author(s):

K. Carva ◽

D. Legut ◽

P. M. Oppeneer

Keyword(s):

Circular Dichroism ◽

Magnetic Circular Dichroism ◽

Excited Electron ◽

Circular Dichroism Spectra ◽

X Ray ◽

Electron Distributions ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Many-body effects in x-ray absorption and magnetic circular dichroism spectra within the LSDA+DMFT framework

Physical Review B ◽

10.1103/physrevb.84.115102 ◽

2011 ◽

Vol 84 (11) ◽

Author(s):

O. Šipr ◽

J. Minár ◽

A. Scherz ◽

H. Wende ◽

H. Ebert

Keyword(s):

Circular Dichroism ◽

Magnetic Circular Dichroism ◽

Many Body ◽

Circular Dichroism Spectra ◽

X Ray ◽

Many Body Effects ◽

X Ray Absorption ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text