Substantial electronic correlation effects on the electronic properties in a Janus FeClF monolayer
نویسندگان
چکیده
Electronic correlation may have an essential influence on the electronic structure in some materials with special structures and localized orbital distribution. In this work, taking a Janus monolayer FeClF as concrete example, effects its are investigated by using generalized gradient approximation plus $U$ approach. For perpendicular magnetic anisotropy (PMA), increasing electron can induce ferrovalley (FV) to half-valley-metal (HVM) quantum anomalous Hall (QAH) HVM FV transitions. QAH state, there is unit Chern number chiral edge state connecting conduction valence bands. The at boundary of phase, whose carriers intrinsically 100% valley polarized. With in-plane anisotropy, no states prominent polarization observed. However, for both out-of-plane sign-reversible Berry curvature be observed $U$. It found that these phenomenons related change ${d}_{xy}/{d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ ${d}_{{z}^{2}}$ distributions different magnetocrystalline directions. also energy Curie temperature strongly depend PMA, typical $U=2.5$ eV, splitting 109 meV, which switched reversing magnetization direction. When considering intrinsic easy axis changes from out plane $U$, critical value about 1.15 eV. shows states. analysis results readily extended other nine members $\mathrm{Fe}XY$ ($X/Y=\text{F}$, Cl, Br, I) due sharing same Fe-dominated low-energy correlations monolayer. Our work emphasizes importance determine exceptional phase
منابع مشابه
investigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولthe effects of changing roughness on the flow structure in the bends
flow in natural river bends is a complex and turbulent phenomenon which affects the scour and sedimentations and causes an irregular bed topography on the bed. for the reason, the flow hydralics and the parameters which affect the flow to be studied and understand. in this study the effect of bed and wall roughness using the software fluent discussed in a sharp 90-degree flume bend with 40.3cm ...
Berry Phase Effects on Electronic Properties
Ever since its discovery, the notion of Berry phase has permeated through all branches of physics. Over the last three decades, it was gradually realized that the Berry phase of the electronic wave function can have a profound effect on material properties and is responsible for a spectrum of phenomena, such as polarization, orbital magnetism, various (quantum/anomalous/spin) Hall effects, and ...
متن کاملElectronic properties driven by strong correlation
4 Superconductivity and stripes in the t J model 73 4. D An important property of the projected BCS wavefunction 119 Bibliography 123 Introduction 1 Introduction The fascinating subject of superconductivity was opened over a century ago by Onnes [1], but until quite recently it was strictly a low-temperature phenomenon. The discovery of the cuprate superconductors [2] in a family of transition ...
متن کاملElectronic effects on singlet-triplet energy splittings in aryl-cyclopentadienylidenes
Energy gaps, AXsar (X=E, H and G) (AX.,.,-=lia,„,,,InrX“dpka,) between single (s) and triplet (I) states werecalculated at B3LTP/6-3 I 1.HO" level of theory. Our results showed that electron donating substituents(G = -NHz, -OH. -CH), -F, -Cl and -Br) at phenyl group cause to increase and electron withdrawingsubstiluents (G -CF2. and -NO:) lead to decrease the singlet-triplet energy gaps of Ar -...
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: Physical Review B
سال: 2022
ISSN: ['1098-0121', '1550-235X', '1538-4489']
DOI: https://doi.org/10.1103/physrevb.105.104416