Thickness dependence of the atomic and electronic structures ofTiO2rutile (110) slabs and the effects on the electronic and magnetic properties of supported clusters of Pd and Rh

We have investigated electronic and magnetic properties of Co thin films epitaxially grown on Au(111) and Pd(111) substrates by spin- and angle-resolved photoelectron spectroscopy. In the Co/Au(111) system, the magnetization direction of Co changes from perpendicular to parallel to the surface at about 6 ML. The origin of the reorientation is qualitatively explained by the increasing contribution of Co 3d orbitals perpendicular to the surface. In the Co/Pd(111) system, the reorientation of the magnetization direction occurs at about 4 ML, the origin of which is explained as being due to the contribution of the upper Λ3 band of Co with increase of film thickness as in the case of the Co/Au(111) system. The stronger hybridization between Co 3d and Pd 4d states in the Co/Pd(111) system causes larger binding energy shifts of the Λ3 states than in the Co/Au(111) system.

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Ab Initio Study of Electronic and Magnetic Properties of GaSb/Mn and GaAs/Mn Digital Ferromagnetic Heterostructures

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.152-153.533 ◽

2009 ◽

Vol 152-153 ◽

pp. 533-536

Author(s):

A. Titov ◽

E.T. Kulatov ◽

Y.A. Uspenskii ◽

V.V. Tugushev ◽

F. Michelini ◽

...

Keyword(s):

Magnetic Properties ◽

Electronic Structures ◽

Wave Method ◽

Ab Initio Study ◽

Augmented Plane Wave ◽

X Ray ◽

Plane Wave Method ◽

Electronic And Magnetic Properties ◽

Augmented Plane Wave Method ◽

X Ray Absorption

Electronic and magnetic properties of GaSb/Mn and GaAs/Mn digital heterostructures were studied using the augmented plane wave method. The calculated electronic structures of GaSb/Mn and GaAs/Mn are similar. A pre-edge absorption line at 6541 eV should be observed in Mn K-edge x-ray absorption spectra of the heterostructures. This line can be used to study the spatial distribution of Mn in layers. The energy of exchange interaction between two Mn layers was calculated as a function of interlayer separation. Different dependencies of the exchange energy are found for GaSb/Mn and GaAs/Mn heterostructures.

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Tunable electronic structures of germanium monochalcogenide nanosheets via light non-metallic atom functionalization: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c6cp03724k ◽

2016 ◽

Vol 18 (33) ◽

pp. 23080-23088 ◽

Cited By ~ 10

Author(s):

Yi Ding ◽

Yanli Wang

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Electronic Structures ◽

Light Atom ◽

Electronic And Magnetic Properties ◽

First Principles Study ◽

Metallic Atom

The binary analogues of phosphorene, GeS and GeSe nanosheets, exhibit versatile electronic and magnetic properties through light atom functionalization.

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Monolayer hexagonal arsenene with tunable electronic structures and magnetic properties via impurity doping

Journal of Materials Chemistry C ◽

10.1039/c5tc03001c ◽

2016 ◽

Vol 4 (2) ◽

pp. 362-370 ◽

Cited By ~ 53

Author(s):

Zhongjun Li ◽

Wei Xu ◽

Yuanqin Yu ◽

Hongyang Du ◽

Kun Zhen ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Electronic Structures ◽

Density Functional ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Impurity Doping

In this study, by using density functional theory, we have theoretically investigated the electronic and magnetic properties of x-substituted hAs (x = B, C, N, O, Ga, Ge, Se, and monovacancy) and x-adsorbed hAs (x = As).

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3d transition metal doping-induced electronic structures and magnetism in 1T-HfSe2 monolayers

RSC Advances ◽

10.1039/c7ra11040e ◽

2017 ◽

Vol 7 (83) ◽

pp. 52747-52754 ◽

Cited By ~ 4

Author(s):

Xu Zhao ◽

Congxia Yang ◽

Tianxing Wang ◽

Xu Ma ◽

Shuyi Wei ◽

...

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Electronic Structures ◽

Transition Metal Doping ◽

First Principles Calculations ◽

Metal Doping ◽

Electronic And Magnetic Properties

By performing first-principles calculations, we explore the structural, electronic and magnetic properties of 3d transition metal (TM) atom-doped 1T-HfSe2 monolayers.

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