Electronic and magnetic properties of quasi-one-dimensional osmium halide OsCl4

2022 ◽  
Vol 120 (2) ◽  
pp. 023101
Author(s):  
Yang Zhang ◽  
Ling-Fang Lin ◽  
Adriana Moreo ◽  
Elbio Dagotto
Keyword(s):  
Magnetic Properties ◽  
One Dimensional ◽  
Electronic And Magnetic Properties

scholarly journals Electronic and Magnetic Properties of One Dimensional Sandwich Transition Metal-Anthracene Molecular Wires

2021 ◽  
Author(s):  
Guang Yang ◽  
Huiyang Zhang ◽  
Yijun Yang ◽  
Yudi Wang ◽  
Xinzi Xv ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Molecular Wires ◽  
Binding Energies ◽  
One Dimensional ◽  
Electronic And Magnetic Properties ◽  
Antiferromagnetic Ordering ◽  
Potential Applications

Organometallic sandwich complexes have been attracting tremendous interest for their potential applications in electronics and spintronics. Here, we systematically studied the structures, electronic and magnetic properties of one dimensional (1D) transition metal (TM)-anthracene (Ant) sandwich molecular wires (SMWs), [TM2Ant]∞ and [TM3Ant]∞ (TM=Ti, V, Cr, Mn), based on density functional theory calculations. Our results showed that all the 1D SMWs display normal sandwich configurations with their binding energies closely related to the choice of TM atoms. Excepting 1D [Mn2Ant]∞ and [Fe3Ant]∞ favoring antiferromagnetic ordering, most 1D [TM2Ant]∞ and [TM3Ant]∞ SMWs display robust ferromagnetic feathers. Particularly, 1D [Cr3Ant]∞ SMW is revealed to be ferromagnetic half-metal with large magnetic moment of 28.0µB per unit cell. Further spintransport calculations double proved that 1D [Cr3Ant]∞ SMW are good spintransport molecular devices. Our findings shed light on the properties of 1D Ant based SMWs and propose a new way to design potential electronic and spintronic devices.

Electronic and magnetic properties of the one-dimensional interfaces of two-dimensional lateral GeC/BP heterostructures

2019 ◽  
Vol 21 (17) ◽  
pp. 8856-8864 ◽  
Author(s):  
Hao Wang ◽  
Wei Wei ◽  
Fengping Li ◽  
Baibiao Huang ◽  
Ying Dai
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
One Dimensional ◽  
Electronic And Magnetic Properties ◽  
The One

We studied the electronic and magnetic properties of one-dimensional (1D) interfaces of two dimensional (2D) GeC/BP lateral heterostructures by first-principles calculations.

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