Structure, stability, electronic and magnetic properties of Ni4 clusters containing impurity atoms

2006 ◽  
Vol 8 (11) ◽  
pp. 1282 ◽  
Author(s):  
Petko St. Petkov ◽  
Georgi N. Vayssilov ◽  
Sven Krüger ◽  
Notker Rösch
Keyword(s):  
Magnetic Properties ◽  
Structure Stability ◽  
Electronic And Magnetic Properties ◽  
Impurity Atoms

scholarly journals The Electronic and Magnetic Properties of Multi-Atom Doped Black Phosphorene

Nanomaterials ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 311 ◽  
Author(s):  
Ke Wang ◽  
Hai Wang ◽  
Min Zhang ◽  
Wei Zhao ◽  
Yan Liu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Antiferromagnetic Order ◽  
Dopant Atom ◽  
Spin Distribution ◽  
Electronic And Magnetic Properties ◽  
Impurity Atoms ◽  
Substitutional Doping ◽  
Black Phosphorene ◽  
The Stability ◽  
Cl Atoms

Recently, substitutional doping is proved to be an effective route to induce magnetism to black phosphorene for its application in spintronics. Herein, we investigate the thermodynamic stability, electronic and magnetic properties of doped black phosphorene with multi Al or Cl atoms using first-principles calculations. We find these doped phosphorenes are thermodynamically stable at 0 K and the stability first improves and then deteriorates with the number of dopant atom increasing. Corresponding to the variety of stability, the amount of electrons transferred between impurity and neighboring phosphorus atoms also first increase and then reduce. However, the band gap of Al-doped phosphorene reduces monotonically from 0.44 eV to 0.13 eV while that of Cl-doped phosphorene first decreases from 0.10 eV to 0 and then becomes flat, which is a result of the impurity levels emerging and splitting. Besides, in doped phosphorenes with an even number of impurity atoms, the antiferromagnetic order is favored by energy. Through computing the magnetic moment and spin distribution, we further confirm the antiferromagnetic order existing only in the doped phosphorenes with two and four Cl atoms. These results may provide some help for future applications of black phosphorene in spintronics.

Influence of Single Impurity Atoms on the Structure, Electronic, and Magnetic Properties of Ni5Clusters

2007 ◽  
Vol 111 (11) ◽  
pp. 2067-2076 ◽  
Author(s):  
Petko St. Petkov ◽  
Georgi N. Vayssilov ◽  
Sven Krüger ◽  
Notker Rösch
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Impurity Atoms ◽  
Single Impurity

Modulating electronic and magnetic properties of zigzag MoSe2 nanoribbons with different edge structures

2019 ◽  
Vol 109 ◽  
pp. 93-100 ◽  
Author(s):  
Xu Zhao ◽  
Qingqing Yang ◽  
Hui Zhang ◽  
Yonghui Gao ◽  
Haiyang Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties

Modulation of electronic and magnetic properties of monolayer chromium trihalides by alloy and strain engineering

2021 ◽  
Vol 129 (15) ◽  
pp. 155104
Author(s):  
Qian Wang ◽  
Nannan Han ◽  
Xuyang Zhang ◽  
Chenhui Zhang ◽  
Xixiang Zhang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Strain Engineering ◽  
Electronic And Magnetic Properties
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