TEMPERATURE-DEPENDENT ELECTRONIC STRUCTURE AND MAGNETIC BEHAVIOUR OF MOTT INSULATORS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 333-336
Author(s):  
W. NOLTING ◽  
L. HAUNERT ◽  
G. BORSTEL
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Theoretical Model ◽  
Transition Metal ◽  
Magnetic Behaviour ◽  
Mott Insulators ◽  
Temperature Dependent ◽  
Electronic And Magnetic Properties ◽  
Coulomb Correlations

The temperature-dependent electronic and magnetic properties of transition metal monoxides are calculated by use of a theoretical model which takes into account strong 3d Coulomb correlations and 2p-3d hybridization.

Transition-metal doping induces the transition of electronic and magnetic properties in armchair MoS2 nanoribbons

2017 ◽  
Vol 19 (36) ◽  
pp. 24594-24604 ◽  
Author(s):  
Jing Pan ◽  
Rui Wang ◽  
Xiaoyu Zhou ◽  
Jiansheng Zhong ◽  
Xiaoyong Xu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Electronic Structure ◽  
Transition Metal ◽  
Density Functional ◽  
Transition Metal Doping ◽  
Hydrogen Passivation ◽  
Metal Doping ◽  
Functional Theory ◽  
Electronic And Magnetic Properties

The electronic structure, magnetic properties and stability of transition-metal (TM) doped armchair MoS2 nanoribbons (AMoS2NRs) with full hydrogen passivation have been investigated using density functional theory.

EFFECT OF ALLOYING ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF AgFe, AuFeand CuFe

2003 ◽  
Vol 17 (03) ◽  
pp. 281-291
Author(s):  
AIN-UL HUDA ◽  
MESBAHUDDIN AHMED ◽  
AMAL HALDER ◽  
A. MOOKERJEE
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Transition Metal ◽  
Noble Metals ◽  
The Self ◽  
Electronic And Magnetic Properties ◽  
Self Consistent ◽  
Augmented Space ◽  
Effect Of Alloying

We use the self-consistent, augmented space recursion technique to study the electronic structure and magnetic properties of alloys of the transition metal Fe with the noble metals Cu, Ag and Au. We analyze the effect of hybridization between the constituent bands on the electronic and magnetic properties.

Electronic and magnetic properties of honeycomb transition metal monolayers: first-principles insights

2014 ◽  
Vol 16 (26) ◽  
pp. 13383-13389 ◽  
Author(s):  
Xinru Li ◽  
Ying Dai ◽  
Yandong Ma ◽  
Baibiao Huang
Keyword(s):  
Field Theory ◽  
Monte Carlo ◽  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Mean Field Theory ◽  
Mean Field ◽  
Electronic And Magnetic Properties ◽  
Dirac Systems

The electronic and magnetic properties of d-electron-based Dirac systems are studied by combining first-principles with mean field theory and Monte Carlo approaches.

Composition dependent tuning of electronic and magnetic properties in transition metal substituted Rock-salt MgO

2019 ◽  
Vol 475 ◽  
pp. 44-53
Author(s):  
Kaltoum Klaa ◽  
Salima Labidi ◽  
Amitava Banerjee ◽  
Sudip Chakraborty ◽  
Malika Labidi ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Rock Salt ◽  
Electronic And Magnetic Properties

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

Metal Dichalcogenide Nanomeshes: Structural, Electronic and Magnetic Properties

2021 ◽  
Author(s):  
Mohamed Helal ◽  
H. M. El-Sayed ◽  
Ahmed A Maarouf ◽  
Mohamed Fadlallah
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Transition Metal ◽  
Structural Stability ◽  
Density Functional ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Functional Theory ◽  
Electronic And Magnetic Properties ◽  
Metal Dichalcogenides

Motivated by the successful preparation of two-dimensional transition metal dichalcogenides (2D- TMDs) nanomeshes in the last three years, we use density functional theory (DFT) to study the structural stability, mechanical,...

Substitutional transition metal doping in MoSi 2 N4 monolayer: Structure, Electronic and Magnetic Properties

2022 ◽  
Author(s):  
Mohamed A. Abdelati ◽  
Ahmed A Maarouf ◽  
Mohamed Fadlallah
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
Electronic And Magnetic Properties

Monolayer MoSi2N4 (MoSiN) was successfully synthesized last year [Hong et al., Science 369, 670 (2020)]. The MoSiN monolayer exhibited semiconducting characteristics and exceptional ambient stability, calling for more studies of...

Sign in / Sign up

Export Citation Format

Share Document