Crystal structures and electronic structures of alkali aluminohexahydrides from density functional calculations

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

Electronic structures and optical properties of doped CuInTe2 chalcopyrite materials: density functional calculations

10.1080/14786435.2021.1954257 ◽

2021 ◽

pp. 1-12

Author(s):

Worasak Sukkabot

Keyword(s):

Optical Properties ◽

Electronic Structures ◽

Density functional calculations on atomic and electronic structures of amorphous HfO2/Si(001) interface

Applied Physics Letters ◽

10.1063/1.3226636 ◽

2009 ◽

Vol 95 (10) ◽

pp. 102905 ◽

Cited By ~ 10

Author(s):

G. H. Chen ◽

Z. F. Hou ◽

X. G. Gong

Keyword(s):

Electronic Structures ◽

Local density functional calculations of the electronic structures of the intermetallic systems U2Fe2Sn and UFe2Ge2

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:4<705::aid-qua13>3.0.co;2-4 ◽

1997 ◽

Vol 61 (4) ◽

pp. 705-709 ◽

Cited By ~ 9

Author(s):

S. F. Matar ◽

V. Eyert ◽

B. Chevalier ◽

J. Etourneau

Keyword(s):

Electronic Structures ◽

Density Functional ◽

Local Density ◽

Local Density Functional

Effects of B site doping on electronic structures of InNbO4 based on hybrid density functional calculations

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/292/1/012020 ◽

2018 ◽

Vol 292 ◽

pp. 012020

Author(s):

M F Lu ◽

C P Zhou ◽

Q Q Li ◽

C L Zhang ◽

H F Shi

Keyword(s):

Electronic Structures ◽

Density Functional ◽

Hybrid Density Functional

A spin density functional calculations in electronic structures and magnetic properties of transition metal doped GaP

Chemical Physics ◽

10.1016/j.chemphys.2019.04.007 ◽

2019 ◽

Vol 523 ◽

pp. 57-62 ◽

Cited By ~ 1

Author(s):

W. Sukkabot

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Spin Density ◽

Electronic Structures ◽

Density Functional ◽

Metal Doped

Crystal structures of Ni2MnGa from density functional calculations

Phase Transitions ◽

10.1080/01411590412331316537 ◽

2005 ◽

Vol 78 (1-3) ◽

pp. 259-266 ◽

Cited By ~ 20

Author(s):

A. Zayak ◽

W. A. Adeagbo ◽

P. Entel ◽

V. D. Buchelnikov

Keyword(s):

Crystal Structures ◽

Correlated electronic structures of group-V transition metal dichalcogenide monolayers from hybrid density-functional calculations

Superlattices and Microstructures ◽

10.1016/j.spmi.2016.10.063 ◽

2016 ◽

Vol 100 ◽

pp. 997-1005 ◽

Cited By ~ 4

Author(s):

Peng-Ru Huang ◽

Qing-Yuan Chen ◽

Hridis K. Pal ◽

Markus Kindermann ◽

Chao Cao ◽

...

Keyword(s):

Transition Metal ◽

Electronic Structures ◽

Density Functional ◽

Transition Metal Dichalcogenide ◽

Group V ◽

Hybrid Density Functional

The electronic structures of uranium borides from local spin density functional calculations

International Journal of Inorganic Materials ◽

10.1016/s1466-6049(00)00006-4 ◽

2000 ◽

Vol 2 (1) ◽

pp. 43-51 ◽

Cited By ~ 11

Author(s):

S.F. Matar ◽

J. Etourneau

Keyword(s):

Spin Density ◽

Electronic Structures ◽

Density Functional ◽

Local Spin

First principles calculations of surface dependent electronic structures: a study on β-FeOOH and γ-FeOOH

Physical Chemistry Chemical Physics ◽

10.1039/c9cp00157c ◽

2019 ◽

Vol 21 (34) ◽

pp. 18486-18494 ◽

Cited By ~ 4

Author(s):

Yuki Sakamoto ◽

Yusuke Noda ◽

Kaoru Ohno ◽

Kayo Koike ◽

Katsushi Fujii ◽

...

Keyword(s):

First Principles ◽

Electronic Structures ◽

Density Functional ◽

First Principles Calculations

The surface dependent electronic structures of β-FeOOH and γ-FeOOH were studied using density functional calculations.

Paramagnetic NMR Spectroscopy and Density Functional Calculations in the Analysis of the Geometric and Electronic Structures of Iron−Sulfur Proteins

Inorganic Chemistry ◽

10.1021/ic048624j ◽

2005 ◽

Vol 44 (4) ◽

pp. 779-797 ◽

Cited By ~ 44

Author(s):

Timothy E. Machonkin ◽

William M. Westler ◽

John L. Markley

Keyword(s):

Nmr Spectroscopy ◽

Electronic Structures ◽

Density Functional ◽

Paramagnetic Nmr ◽

Iron Sulfur ◽

Iron Sulfur Proteins