Manipulating the magnetic moment in phosphorene by lanthanide atom doping: a first-principle study

RSC Advances ◽  
2016 ◽  
Vol 6 (94) ◽  
pp. 92048-92056 ◽  
Author(s):  
Ziyuan Yuan ◽  
Nan Li
Keyword(s):  
Dilute Magnetic Semiconductor ◽  
Magnetic Moment ◽  
Magnetic Semiconductor ◽  
First Principle ◽  
Next Generation ◽  
Lanthanide Atom

Doping Ln atom can manipulate the magnetic moment in phosphorene in the range from 1 μBto 7 μB, which could be a next-generation candidates of potential dilute magnetic semiconductor.

Lanthanide atom substitutionally doped blue phosphorene: electronic and magnetic behaviors

2018 ◽  
Vol 20 (16) ◽  
pp. 11003-11012 ◽  
Author(s):  
Bo Su ◽  
Nan Li
Keyword(s):  
Dilute Magnetic Semiconductor ◽  
Magnetic Semiconductor ◽  
Semiconductor Material ◽  
Lanthanide Atom ◽  
Dilute Magnetic Semiconductor Material ◽  
Blue Phosphorene

Lanthanide-doped blue phosphorene is expected to become a novel dilute magnetic semiconductor material.

scholarly journals Spin Gapless Semiconductor–Nonmagnetic Semiconductor Transitions in Fe-Doped Ti2CoSi: First-Principle Calculations

2018 ◽  
Vol 8 (11) ◽  
pp. 2200 ◽  
Author(s):  
Yu Feng ◽  
Zhou Cui ◽  
Ming-sheng Wei ◽  
Bo Wu ◽  
Sikander Azam
Keyword(s):  
Magnetic Moment ◽  
Electronic Structures ◽  
Magnetic Moments ◽  
Total Magnetic Moment ◽  
First Principle ◽  
Half Metallic ◽  
Heusler Compound ◽  
First Principle Calculations ◽  
Metallic Ferromagnet

Employing first-principle calculations, we investigated the influence of the impurity, Fe atom, on magnetism and electronic structures of Heusler compound Ti2CoSi, which is a spin gapless semiconductor (SGS). When the impurity, Fe atom, intervened, Ti2CoSi lost its SGS property. As TiA atoms (which locate at (0, 0, 0) site) are completely occupied by Fe, the compound converts to half-metallic ferromagnet (HMF) TiFeCoSi. During this SGS→HMF transition, the total magnetic moment linearly decreases as Fe concentration increases, following the Slate–Pauling rule well. When all Co atoms are substituted by Fe, the compound converts to nonmagnetic semiconductor Fe2TiSi. During this HMF→nonmagnetic semiconductor transition, when Fe concentration y ranges from y = 0.125 to y = 0.625, the magnetic moment of Fe atom is positive and linearly decreases, while those of impurity Fe and TiB (which locate at (0.25, 0.25, 0.25) site) are negative and linearly increase. When the impurity Fe concentration reaches up to y = 1, the magnetic moments of Ti, Fe, and Si return to zero, and the compound is a nonmagnetic semiconductor.

Sign in / Sign up

Export Citation Format

Share Document