相关论文: Vacancy-induced pseudo-gap formation in antiferrom…
Combining experimental and theoretical tools, we report that Zn vacanciesplay an important role in the electronic and optical responses of ZnS sphalerite. The defective surface of ZnS (001) single crystal prepared in ultra-highvacuum…
Simulations of defects in paramagnetic materials at high temperature constitute a formidable challenge to solid state theory due to the interaction of magnetic disorder, vibrations, and structural relaxations. CrN is a material where these…
Thermoelectric materials require high electronic conductivity and low thermal conductivity. CrN has been shown to have low phononic thermal conductivity, making it a potential candidate for thermoelectric applications. In addition,…
We study the origin of the gap and the role of chemical composition in the half-ferromagnetic Heusler alloys using the full-potential screened KKR method. In the paramagnetic phase the C1_b compounds, like NiMnSb, present a gap. Systems…
Low-dimensional magnetic materials have attracted much attention due to their novel properties and high potential for spintronic applications. In this work, we study the electronic structure and magnetic properties of the pseudo…
We study the crystal reconstruction in the presence of monovacancies (MVs), divacancies (DVs) and linear vacancies (LVs) in a zigzag silicene nanoribbon (ZSiNR) with transversal symmetry. Their influence on the electric and thermoelectric…
New materials are currently sought for use in spintronics applications. Ferromagnetic materials with half metallic properties are valuable in this respect. Here we present the electronic structure and magnetic properties of binary compounds…
Using ab-initio calculations based on density functional theory, we investigate the effects of vacancies on the electronic and magnetic properties of zigzag SiC nanoribbons (Z-SiCNR). Single (V_C and V_Si) and double (V_SiV_Si and V_SiV_C)…
Here we investigate the thermodynamic and electronic properties of Eu$_{11}$InSb$_9$ single crystals. Electrical transport data show that Eu$_{11}$InSb$_9$ has a semiconducting ground state with a relatively narrow band gap of $320$~meV.…
The recent discovery of magnetism within the family of exfoliatable van der Waals (vdW) compounds has attracted considerable interest in these materials for both fundamental research and technological applications. However current vdW…
Infrared reflectivity measurements of CeSb under multi-extreme conditions (low temperatures, high pressures and high magnetic fields) were performed. A pseudo gap structure, which originates from the magnetic band folding effect,…
This paper presents first principles calculations of paramagnetic cubic CrN$_x$ with the aim to provide deeper insight into recently published transmission electron microscopy-based study on this material. Among several types of point…
By using the arc-melting method, we successfully synthesized the compound Sc$_{0.5}$Zr$_{0.5}$Co with the space group of $Pm$-$3m$. Both the resistivity and magnetic susceptibility measurements reveal a phase transition at about 86 K. This…
The contribution of bulk and surface to the electrical resistance along crystallographic \textit{b}- and \textit{c}-axes as a function of crystal thickness gives evidence for a temperature independent surface states in an antiferromagnetic…
Layered-antiferromagnetic compound CuCrS2 has been prepared by different methods. The analysis of X-ray diffraction patterns of different samples gave significant amount of vacancy-disorder of Cr-atoms within the layers. Extended period of…
Sb-NMR/NQR study has revealed a formation of a pseudogap at the Fermi level in the density of states in a valence fluctuating compound CeIrSb. The nuclear spin-lattice relaxation rate divided by temperature, 1/T_1T has a maximum around 300…
Cr$_{1+\delta}$Te$_2$, a two-dimensional van der Waals ferromagnet, displays a contested magnetic structure, poised between collinear and non-collinear spin configurations. In this work, we investigate the magnetic structure of…
The helimagnets Cr$_{1/3}M$S$_2$ ($M$ = Nb or Ta) have attracted renewed attention due to the discovery of a chiral soliton lattice (CSL) stabilized in an applied magnetic field, but reports of unusual low-temperature transport and magnetic…
In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs). The electronic structure of…
We present an extended study of single impurity atoms and atomic swaps in half-metallic CrAs, CrSb and CrSe zinc-blende compounds. Although the perfect alloys present a rather large gap in the minority-spin band, all defects under study,…