Design ofL21-type antiferromagnetic semiconducting full-Heusler compounds: A first principles DFT + GWstudy
نویسندگان
چکیده
منابع مشابه
Theory of Heusler and Full-Heusler compounds
Spintronics/magnetoelectronics brought at the center of scientific research the Heusler and full-Heusler compounds, since several among them have been shown to be half-metals. In this review we present a study of the basic electronic and magnetic properties of both Heusler families; the so-called semi-Heusler alloys like NiMnSb and the full-Heusler alloys like Co2MnGe (usual full-Heuslers), Mn2...
متن کاملThermal conductivity of half-Heusler compounds from first-principles calculations
conductivity of half-Heusler compounds from first-principles calculations. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. We demonstrate successful application of...
متن کاملNEGF-DFT: a first principles formalism for modeling molecular electronics
Using molecules as functional units for electronic device application[1] is an interesting perspective and a possible goal of nano-electronics. Work in this field has clearly demonstrated that many of the important molecular device characteristics relate specifically to a strong coupling between the atomic and the electronic degrees of freedom. However, from a theoretical point of view, the acc...
متن کاملSpin-transfer torques in antiferromagnetic metals from first principles.
In spite of the absence of a macroscopic magnetic moment, an antiferromagnet is spin-polarized on an atomic scale. The electric current passing through a conducting antiferromagnet is polarized as well, leading to spin-transfer torques when the order parameter is textured, such as in antiferromagnetic noncollinear spin valves and domain walls. We report a first principles study on the electroni...
متن کاملFirst-principles DFT study of ethylene adsorption on Pd(110)
The structure and energetics of the ethylene-palladium adsorption system were investigated by means of first-principles DFT calculations. The calculations revealed that there exist two minimum energy configurations for the ethylene molecule -bonded on Pd(110), one with the C = C axis aligned parallely to the metal surface and the other, at very close energy, with the molecular axis tilted by ab...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Applied Physics
سال: 2017
ISSN: 0021-8979,1089-7550
DOI: 10.1063/1.4975351