MLFT approach with p-d hybridization for ab initio simulations of the pre-edge XANES

被引：0

作者：

Gorelov, E. ^{[1
]}

Guda, A.A. ^{[2
]}

Soldatov, M.A. ^{[2
]}

Guda, S.A. ^{[2
,3
]}

Pashkov, D. ^{[3
]}

Tanaka, A. ^{[4
]}

Lafuerza, S. ^{[5
]}

Lamberti, C. ^{[2
,6
]}

Soldatov, A.V. ^{[2
]}

机构：

[1] Gorelov, E.

[2] Guda, A.A.

[3] Soldatov, M.A.

[4] 2,Guda, S.A.

[5] Pashkov, D.

[6] Tanaka, A.

[7] Lafuerza, S.

[8] 2,Lamberti, C.

[9] Soldatov, A.V.

来源：

Guda, A.A. (guda@sfedu.ru) | 1600年 / Elsevier Ltd卷 / 175期

关键词：

26;

D O I：

暂无

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学科分类号：

摘要：

引用

共 14 条

[1] MLFT approach with p-d hybridization for ab initio simulations of the pre-edge XANES
Gorelov, E.
Guda, A. A.
Soldatov, M. A.
Guda, S. A.
Pashkov, D.
Tanaka, A.
Lafuerza, S.
Lamberti, C.
Soldatov, A. V.
RADIATION PHYSICS AND CHEMISTRY, 2020, 175
[2] Calculation of multipole transitions at the FeK pre-edge through p-d hybridization in the Ligand Field Multiplet model
Arrio, MA
Rossano, S
Brouder, C
Galoisy, L
Calas, G
EUROPHYSICS LETTERS, 2000, 51 (04): : 454 - 460
[3] Ab initio and experimental pre-edge investigations of the Mn K-edge XANES in oxide-type materials -: art. no. 155109
Farges, F
PHYSICAL REVIEW B, 2005, 71 (15)
[4] Quantitative local structure determination in mica crystals: ab initio simulations of polarization XANES at the potassium K-edge
Xu, Wei
Chen, Dongliang
Chu, Wangsheng
Wu, Ziyu
Marcelli, Augusto
Mottana, Annibale
Soldatov, Alexander
Brigatti, Maria Franca
JOURNAL OF SYNCHROTRON RADIATION, 2011, 18 : 418 - 426
[5] Ab initio calculation of the parameters and band structure of the multiband p-d model for La2CuO4
Z. V. Pchelkina
D. E. Kondakov
I. V. Leonov
V. I. Anisimov
V. A. Gavrichkov
S. G. Ovchinnikov
The Physics of Metals and Metallography, 2006, 101 (Suppl 1) : S13 - S16
[6] A space-symmetry approach to the p-d hybridization and direct p-p hopping in yttrium-iron garnets
Lehmann-Szweykowska, A
Lulek, T
Kaczmarek, MM
JOURNAL OF PHYSICS-CONDENSED MATTER, 2001, 13 (15) : 3607 - 3621
[7] Merging ab initio theory and few-body approach for (d, p) reactions
Rotureau, J.
Potel, G.
Li, W.
Nunes, F. M.
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS, 2020, 47 (06)
[8] Metal and ligand K-edge XAS of organotitanium complexes: Metal 4p and 3d contributions to pre-edge intensity and their contributions to bonding
George, S.D. (serena@slac.stanford.edu), 1600, American Chemical Society (127):
[9] Metal and ligand K-Edge XAS of organotitanium complexes: Metal 4p and 3d contributions to pre-edge intensity and their contributions to bonding
George, SD
Brant, P
Solomon, EI
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (02) : 667 - 674
[10] Contribution of molecular dynamics simulations and ab initio calculations to the interpretation of Mg K-edge experimental XANES in K2O-MgO-3SiO2 glass
Trcera, Nicolas
Rossano, Stephanie
Madjer, Karim
Cabaret, Delphine
JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 23 (25)

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