scholarly journals Magneto-electronic properties and mechano-magnetic coupling effects in transition metal-doped armchair boron nitride nanoribbons

2017 ◽  
Vol 66 (23) ◽  
pp. 238501
Author(s):  
Liu Juan ◽  
Hu Rui ◽  
Fan Zhi-Qiang ◽  
Zhang Zhen-Hua
Keyword(s):  
Transition Metal ◽  
Boron Nitride ◽  
Electronic Properties ◽  
Magnetic Coupling ◽  
Coupling Effects ◽  
Boron Nitride Nanoribbons ◽  
Metal Doped

Structural and magneto-electronic properties and electric field-mediated effects for transition metal-terminated zigzag h-BN nanoribbons

2017 ◽  
Vol 19 (6) ◽  
pp. 4469-4477 ◽  
Author(s):  
J. Liu ◽  
Z. H. Zhang ◽  
P. F. Yuan ◽  
Z. Q. Fan
Keyword(s):  
Transition Metal ◽  
Boron Nitride ◽  
Electric Field ◽  
Electronic Properties ◽  
Spin Polarization ◽  
High Spin ◽  
Mediated Effects ◽  
High Spin Polarization ◽  
Boron Nitride Nanoribbons ◽  
Very High

Transition metal terminated zigzag boron nitride nanoribbons show very high spin polarization and are electric field-sensitive in the ferromagnetic (FM) state.

Magnetism in 3d transition metal doped SnO

2016 ◽  
Vol 4 (38) ◽  
pp. 8947-8952 ◽  
Author(s):  
A. Albar ◽  
U. Schwingenschlögl
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Structural And Electronic Properties ◽  
Metal Doped

Using first principles calculations, we investigate the structural and electronic properties of 3d transition metal doped SnO.

Structure and Electronic Properties of Edge-Functionalized Armchair Boron Nitride Nanoribbons

2012 ◽  
Vol 116 (29) ◽  
pp. 15675-15681 ◽  
Author(s):  
Alejandro Lopez-Bezanilla ◽  
Jingsong Huang ◽  
Humberto Terrones ◽  
Bobby G. Sumpter
Keyword(s):  
Boron Nitride ◽  
Electronic Properties ◽  
Boron Nitride Nanoribbons

Investigation of magnetic and electronic properties of transition metal doped Sc2CT2(T = O, OH or F) using a first principles study

2016 ◽  
Vol 18 (18) ◽  
pp. 12914-12919 ◽  
Author(s):  
Jianhui Yang ◽  
Xuepiao Luo ◽  
Shaozheng Zhang ◽  
Liang Chen
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
Spin Electronics ◽  
First Principles Study ◽  
Two Dimensional Materials ◽  
Metal Doped ◽  
Mn Doped

Cr- and Mn-doped Sc2CT2(T = OH, O, or F) systems are magnetic, which are promising two-dimensional materials in spin electronics applications.

UNIFORM BENDING EFFECT ON ELECTRONIC PROPERTIES OF BORON NITRIDE NANORIBBONS: A COMPUTATIONAL INVESTIGATION

Nano LIFE ◽  
2012 ◽  
Vol 02 (02) ◽  
pp. 1240005
Author(s):  
YUNLONG LIAO ◽  
ZHONGFANG CHEN
Keyword(s):  
Boron Nitride ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Wide Band ◽  
Band Gaps ◽  
Computational Investigation ◽  
Wide Band Gap ◽  
Bending Effect ◽  
Boron Nitride Nanoribbons

First-principles computations were performed to investigate the uniform bending effect on the electronic properties of armchair boron nitride nanoribbons (aBNNRs) with experimentally obtained width. For both bare and hydrogen-terminated aBNNRs, the band gaps only slightly depend on the uniform bending. The insensitivity of the band structures of BNNRs to the uniform bending makes them ideal materials when their wide band gap character is desired.

scholarly journals Structure, stability, and electronic properties of singly and doubly transition metal doped boron clusters B14M

2019 ◽  
Vol 128 (1B) ◽  
pp. 49
Author(s):  
My-phuong Pham-ho ◽  
My-Phuong Pham-Ho ◽  
Tam Minh Nguyen
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Binding Energies ◽  
Structure Stability ◽  
Density Of State ◽  
Boron Clusters ◽  
Double Ring ◽  
Equilibrium Structures ◽  
Energy Equilibrium ◽  
Metal Doped

<p>An examination of the first-row transition metal doped boron clusters, B<sub>14</sub>M (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) in the neutral state, is carried out using DFT quantum chemical calculations. The lowest-energy equilibrium structures of the clusters considered are identified at TPSSh/ 6-311+G(d) level. It is found that the structural patterns of doped species evolve from exohedrally capped quasi-planar structure B<sub>14</sub> to endohedrally doped double ring tubular when M goes from Sc to Cu. The B<sub>14</sub>Ti and B<sub>14</sub>Fe turn out to be remarkable species due to their enhanced thermodynamic stabilities with larger average binding energies. Their electronic properties can be understood in terms of the density of state (DOS).</p><p> </p>

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