Ferrimagnetic half-metallic properties of Cr/Fe δ doped MoS2 monolayer

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Electronic and magnetic properties of Co doped MoS2 monolayer

First principle calculations are employed to calculate the electronic and magnetic properties of Co doped MoS2 by considering a variety of defects including all the possible defect complexes. The results indicate that pristine MoS2 is nonmagnetic. The materials with the existence of S vacancy or Mo vacancy alone are non-magnetic either. Further calculation demonstrates that Co substitution at M...

متن کامل

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer.

Manipulating electronic and magnetic properties of two-dimensional (2D) transitional-metal dichalcogenides (TMDs) MX2 by doping has raised a lot of attention recently. By performing the first-principles calculations, we have investigated the structural, electronic, and magnetic properties of transitional metal (TM)-doped MoS2 at low and high impurity concentrations. Our calculation result indic...

متن کامل

Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices

Superlattice provides a new approach to enrich the class of materials with novel properties. Here, we report the structural and electronic properties of superlattices made with alternate stacking of two-dimensional hexagonal germanene (or silicene) and a MoS2 monolayer using the first principles approach. The results are compared with those of graphene/MoS2 superlattice. The distortions of the ...

متن کامل

Cu4 Cluster Doped Monolayer MoS2 for CO Oxidation

The catalytic oxidation of CO molecule on a thermodynamically stable Cu4 cluster doped MoS2 monolayer is investigated by density functional theory (DFT) where the reaction proceeds in a new formation order of COOOCO* (O2* + 2CO* → COOOCO*), OCO* (COOOCO* → CO2 + OCO*), and CO2 (OCO* → CO2) desorption with the corresponding reaction barrier values of 0.220 eV, 0.370 eV and 0.119 eV, respectively...

متن کامل

First Principles Prediction of the Magnetic Properties of Fe-X6 (X = S, C, N, O, F) Doped Monolayer MoS2

Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X6 clusters (X = S, C, N, O, and F) incorporated in 4 × 4 monolayer MoS2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F6 substituions make the system display half-metallic properties, Fe-C6 and Fe-N6 substitutions l...

متن کامل

ذخیره 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: RSC Advances

سال: 2017

ISSN: 2046-2069

DOI: 10.1039/c7ra00133a