Electronic and magnetic structure of cuprous oxideCu2Odoped with Mn, Fe, Co, and Ni: A density-functional theory study

M. Sieberer; J. Redinger; P. Mohn

doi:10.1103/physrevb.75.035203

Electronic and magnetic structure of cuprous oxideCu2Odoped with Mn, Fe, Co, and Ni: A density-functional theory study

Physical Review B ◽

10.1103/physrevb.75.035203 ◽

2007 ◽

Vol 75 (3) ◽

Cited By ~ 45

Author(s):

M. Sieberer ◽

J. Redinger ◽

P. Mohn

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Structure

Download Full-text

Atomic, electronic, and magnetic structure of theAu(100)∕Fe3O4(100)interface: Density functional theory study

Physical Review B ◽

10.1103/physrevb.75.165314 ◽

2007 ◽

Vol 75 (16) ◽

Cited By ~ 2

Author(s):

Y. L. Li ◽

K. L. Yao ◽

Q. H. Lu ◽

Z. L. Liu ◽

D. Xi ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Structure

Download Full-text

Electronic and magnetic structure ofLa0.875Sr0.125MnO3calculated by means of hybrid density-functional theory

Physical Review B ◽

10.1103/physrevb.76.012410 ◽

2007 ◽

Vol 76 (1) ◽

Cited By ~ 23

Author(s):

Sergei Piskunov ◽

Eckhard Spohr ◽

Timo Jacob ◽

Eugene A. Kotomin ◽

Donald E. Ellis

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Electronic And Magnetic Structure ◽

Hybrid Density Functional

Download Full-text

Density functional theory studies of the electronic and magnetic structure of GdxSr1−xFeO3 perovskite alloys

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2014.08.021 ◽

2014 ◽

Vol 27 ◽

pp. 810-818

Author(s):

M. Azzouz ◽

S. Kacimi ◽

S. Ait Abderahmane ◽

M. Bououdina ◽

A. Zaoui

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Density Functional ◽

Functional Theory ◽

Electronic And Magnetic Structure

Download Full-text

Ground-state magnetic structure of hexagonal YMnO3 compound: A non-collinear spin density functional theory study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2016.05.038 ◽

2016 ◽

Vol 416 ◽

pp. 236-240 ◽

Cited By ~ 3

Author(s):

A.F. Lima ◽

M.V. Lalic

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Spin Density ◽

Ground State ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Compound A

Download Full-text

Electronic and magnetic structure of bulk cobalt: The α, β, and ε-phases from density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.3458691 ◽

2010 ◽

Vol 133 (2) ◽

pp. 024701 ◽

Cited By ~ 59

Author(s):

Víctor Antonio de la Peña O’Shea ◽

Iberio de P. R. Moreira ◽

Alberto Roldán ◽

Francesc Illas

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Electronic And Magnetic Structure

Download Full-text

Electronic and magnetic structure ofLaMnO3from hybrid periodic density-functional theory

Physical Review B ◽

10.1103/physrevb.69.085115 ◽

2004 ◽

Vol 69 (8) ◽

Cited By ~ 103

Author(s):

D. Muñoz ◽

N. M. Harrison ◽

F. Illas

Keyword(s):

Density Functional Theory ◽

Magnetic Structure ◽

Density Functional ◽

Functional Theory ◽

Electronic And Magnetic Structure

Download Full-text

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Download Full-text

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Download Full-text