scholarly journals First principles study of the multiferroicsBiFeO3,Bi2FeCrO6, andBiCrO3: Structure, polarization, and magnetic ordering temperature

2005 ◽  
Vol 72 (21) ◽  
Author(s):  
Pio Baettig ◽  
Claude Ederer ◽  
Nicola A. Spaldin
Keyword(s):  
First Principles ◽  
Magnetic Ordering ◽  
First Principles Study ◽  
Magnetic Ordering Temperature

First-principles study of uniaxial strain-stabilized long-range ferromagnetic ordering in electrenes

2021 ◽  
Author(s):  
Jun Zhou ◽  
Xiaohe Song ◽  
Ming Yang ◽  
J. W. Chai ◽  
Lai Mun Wong ◽  
...  
Keyword(s):  
Magnetic Fields ◽  
Long Range ◽  
First Principles ◽  
Easy Axis ◽  
Magnetic Ordering ◽  
Uniaxial Strain ◽  
Two Dimensional ◽  
First Principles Study ◽  
Ferromagnetic Ordering

Few two-dimensional (2D) magnets have an intrinsic easy axis, which is essential for a long-range magnetic ordering for applications. Here, we show that without external magnetic fields, uniaxial strains can...

First-Principles Study of Thin-Film Properties of Transition-Metal Oxide SrTcO3

2013 ◽  
Vol 763 ◽  
pp. 17-22
Author(s):  
Zeng Hua Cai ◽  
Ling Zhang ◽  
Jing Huang ◽  
Chun Lan Ma
Keyword(s):  
Thin Film ◽  
Magnetic Property ◽  
Electrical Properties ◽  
First Principles ◽  
Magnetic Ordering ◽  
Film Properties ◽  
Ambient Temperatures ◽  
Structural And Electronic Properties ◽  
Small Band ◽  
Magnetic Ordering Temperature

The structural and electronic properties of fully-relaxed thin-film SrTcO3 are investigated using first-principles method. In contrast to the insulating property of the bulk SrTcO3, the thin-film SrTcO3 with a thickness of 8.06 Å is found to be nearly metallic with a very small band gap of 0.17 eV. Its band structure meets the demands of being thermoelectric material. Moreover, thin-film SrTcO3 is found to retain its bulk high magnetic ordering temperature(TN) property, which suggests that it is applicable in high ambient temperatures. Comparison of the electronic/magnetic property of thin-film and bulk SrTcO3 is performed to explore the origins of their different electrical properties.

scholarly journals Noncollinear magnetic ordering in compressed FePd3ordered alloy: A first principles study

2012 ◽  
Vol 86 (17) ◽  
Author(s):  
Y. O. Kvashnin ◽  
S. Khmelevskyi ◽  
J. Kudrnovský ◽  
A. N. Yaresko ◽  
L. Genovese ◽  
...  
Keyword(s):  
First Principles ◽  
Magnetic Ordering ◽  
First Principles Study

scholarly journals First-principles study of charge and magnetic ordering in monolayer NbSe2

2018 ◽  
Vol 97 (8) ◽  
Author(s):  
Feipeng Zheng ◽  
Zhimou Zhou ◽  
Xiaoqiang Liu ◽  
Ji Feng
Keyword(s):  
First Principles ◽  
Magnetic Ordering ◽  
First Principles Study

A first-principles study on the defective properties of MAX phase Cr2AlC: the magnetic ordering and strong correlation effect

RSC Advances ◽  
2016 ◽  
Vol 6 (87) ◽  
pp. 84262-84268 ◽  
Author(s):  
Han Han ◽  
Darshana Wickramaratne ◽  
Qing Huang ◽  
Jianxing Dai ◽  
Tongwei Li ◽  
...  
Keyword(s):  
First Principles ◽  
Strong Correlation ◽  
Magnetic Ordering ◽  
Correlation Effect ◽  
Max Phase ◽  
Max Phases ◽  
First Principles Study

The defective properties of Cr2AlC can be very different from the commonly studied Ti-based MAX phases.

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