Blende Type Research Articles

Investigations of novel polymorphs of ZnO for optoelectronic applications

Being a promising candidate in next-generation optoelectronic applications, the study of new polymorphs of zinc oxide (ZnO) is receiving the great attention of researchers. In this article, we explore optoelectronic properties of seven polymorphs of ZnO such as wurtzite type, sphalerite type, germanium phosphide (GeP) type, 5-5 type, nickel arsenide (NiAs) type, β-beryllium oxide (BeO) type and cesium chloride (CsCl) type by using full-potential linearized augmented plane wave plus local orbital (FP-L(APW+lo)) method within Density Functional Theory (DFT). Tran-Blaha modified Becke-Johnson potential (TB-mBJ) along with Generalized Gradient Approximation (GGA) proposed by Perdew-Burke-Ernzerhof (PBE) as exchange-correlation has been used for the calculations of electronic and optical properties of seven polymorphs of ZnO. Our band structure calculations reveal the considered polymorphs of ZnO as wide bandgap semiconductors. The calculated band gap values of wurtzite type, sphalerite type, GeP type, 5-5 type, NiAs type, BeO type and CsCl type polymorphs of ZnO are 2.901 eV, 2.679 eV, 2.648 eV, 3.127 eV, 2.986 eV, 3.040 eV and 1.853 eV respectively. The wurtzite type, sphalerite type, 5-5 type, NiAs type, and BeO type polymorphs of ZnO exhibit direct bandgap while GeP type and CsCl type polymorphs show indirect bandgap. The optical spectra of these polymorphs of ZnO reveal different reflection, plasmon energies, optical absorption, and refractive indices are considerably anisotropic and present different values in the x- and z-direction. The z-component of the reflectivity and absorption spectra was found larger than the x-component in wurtzite type, 5-5 type and NiAs type polymorphs of ZnO, showing that large reflectivity and optical absorption along z-axis than the x-axis in these polymorphs. This study is believed to provide an interesting guideline for the low-cost and non-toxic new polymorphs of ZnO in cutting-edge optoelectronic applications.

Sonochemically synthesized Ni-doped ZnS nanoparticles: structural, optical, and photocatalytic properties

In the present work, we investigate the effect of Ni doping on the crystallite size (Dhkl), optical band gap ($$E_{\text{g}}^{\text{opt}}$$), Photoluminescence emission (PL) behavior, as well as the photocatalytic degradation efficiency of methylene blue (MB) by ZnS nanoparticles (NPs) catalyst. Undoped and Ni-doped ZnS NPs at Ni concentrations of 2, 4, 6, 8, and 10% are successfully synthesized with average Dhkl from 2.75 to 3.76 nm by the sonochemical technique. X-ray diffraction (XRD) patterns and high-resolution transmission electron microscope (HRTEM) images of all samples exhibit pure zinc-blende type of ZnS cubic structure. The increase in Ni content up to 4% results in an increase in the Dhkl and unit cell volume (V) accompanied by a decrease in $$E_{\text{g}}^{\text{opt}}$$. Meanwhile, a further increase in Ni content above 4% leads to a decrease in Dhkl and V and an increase in $$E_{\text{g}}^{\text{opt}}$$. The deconvoluted PL emission spectrum of the undoped sample at the excitation wavelength (λex) of 325 nm reveals emission bands centered at 3.41, 3.16, 2.89, and 2.26 eV, which are red-shifted with increasing λex to 370 nm. It is observed that the PL emission intensity is quenched with increasing Ni content without any noticeable change in the PL peak position. Ni-doped ZnS catalyst with 2% Ni exhibits maximum photo-degradation efficiency of 52.23% with a rate constant of 0.00396 min−1. The obtained results demonstrate that Ni doping can tune the optical band gap and photocatalytic efficiency of ZnS NPs that make it applicable for many optoelectronic applications.

Structure, binding energy and optoelectrical properties of p-type CuI thin films: The effects of thickness

Ultra-high transparent p-type copper iodide (CuI) thin films were fabricated by solid iodization of evaporated Cu precursor layers at room temperature. The effect of the thickness on microstructure, binding energy and optoelectrical properties is systematically studied. X-ray diffraction measurements show the polycrystalline nature of the CuI thin films with zincblende type structure. The X-ray photoelectron spectroscopy (XPS) analysis indicates that the oxidation state of Cu is +1 and the estimated value of [Cu]/[I] at 100 nm is 0.87. Excess iodide ions trap considerable holes, causing CuI thin films to exhibit the p-type conductivity, which is consistent with the results of the Hall effect measurement and the non-linear characteristics of the CuI/ITO structure. Moreover, the CuI thin films with thickness of 100 nm exhibits an ultra-high optical transmittance of 95.5% in the wavelength of 380–780 nm and an excellent conductivity of 34 S/cm. These results prove the great potential of CuI as a promising p-type optoelectronic material.

High pressure structural phase transition and elastic properties of ZnSexTe1−x semiconducting compounds

This paper discusses the high pressure-dependent crystal structure phase transformation and elastic behavior of ZnSe[Formula: see text]Te[Formula: see text] (x = 0.0, 0.2, 0.55, 0.81, 0.93 and 1.0) by speculating effective interionic interaction potential (EIoIP), that contains long-range type Coulomb force, short-range overlap repulsion of the Hafemeister and Flygare types and the van der Waals (vdW) interaction. The assessed values of structural phase transition pressure and the considerable volume discontinuity associated with the pressure–volume phase diagram support the structural phase transformation from zinc blende (B3) type to rock-salt (B1) type crystal structure. The equation of state curves (relationship between V(p)/V(0) and pressure in the pressure–volume phase diagram) for both the zinc blende (B3) and rock-salt (B1) structures is in reasonably good agreement with that of experimental observations. Moreover, systematic variations of the second-order elastic constants (SOEC) with pressure have been found to follow systematic trends showed by the other systems with B3 type to B1 type pressure-dependent structural phase transition.

Study of ZnO1-xSx synthesis by non-alcoxide sol-gel method employed in the photocatalytic degradation of a persistent organic pollutant in water

Non-Alcoxide Sol-Gel method was used as synthesis route to obtain the ZnO1-xSx compounds at calcination temperatures of 250 ° C, 300 ° C and 400 ° C, doped with Sulfur at mole fractions of x = 0.05, 0.50, 0.80. The samples obtained were characterized structural and optically by both X-ray diffraction (XRD) and diffuse reflectance spectrophotometry. The XRD analysis showed the formation of the Wurtzite type structure proper of ZnO up to Sulfur mole fraction of x = 0.50. It was observed that this phase disappears at a mole fraction of x = 0.80 and converts to Cubic Zinc blende type structure proper of Zinc Sulfide. Furthermore, was observed that increasing calcination temperature higher crystallinity was achieved for all set of samples. The Rietveld refinement method was used to obtain lattice parameters for Wurtzite structure as well as cell volume and the ratio c/a. These parameters show slight incremental changes in relation to S doped ZnO crystalline structure. On the other hand, it was determined optically, that increasing the dopant concentration to a mole fraction x = 0.50, a maximum reduction of the band gap from 3,29 eV to 2,70 eV was reached, while increasing the calcination temperature shows a general tendency to band gap reduction. Photocatalytic activity of Sulfur doped and pure ZnO powders were tested for degradation of p, p’-DDT under visible light, measuring the p, p’-DDT time-dependent concentration by gas chromatography-μECD coupling. The results revealed that the sulfur modified ZnO material showed an improved photocatalytic activity towards p, p’-DDT under visible light illumination respect to pure ZnO.

Theoretical prediction of maximum Curie temperatures of Fe-based dilute magnetic semiconductors by first-principles calculations

We clarify the maximum Curie temperatures in Mn- and Fe-based dilute magnetic semiconductors by first-principles calculations. For this purpose, the electronic structure and magnetic properties in the spinodal-decomposed zinc-blende type MnAs, MnSb, FeAs, and FeSb are calculated by the Korringa-Kohn-Rostoker Green’s function method combined with the variational pseudo self-interaction correction. Our calculations clearly show that these zinc-blende materials have a possibility of very high Curie temperature by an n- or p-type Fermi level shift, and that the estimated Curie temperature by the mean field approximation reaches 1 000 K.

Preparation and Morphology of CdZnS Thin Films

Thin films based on limited solid solutions of cadmium and zinc sulfides have been synthesized by a one-stage epitaxial layer-by-layer deposition from an ammonium-containing aqueous solution of cadmium and zinc chlorides and thiocarbamide on a glass substrate. The thickness control of sulfide layers was carried out by selection of reagent concentrations and the deposition conditions. The relationship between the synthesis conditions of CdxZn[Formula: see text]S thin films and the size of sulfide nanoparticles in these films is established. The films contain two phases: hexagonal (space group [Formula: see text]) phase with [Formula: see text] structure of wurtzite type and cubic (space group [Formula: see text]-[Formula: see text]) phase with [Formula: see text] structure of sphalerite type. It is shown that the CdxZn[Formula: see text]S film consists of separate [Formula: see text][Formula: see text]nm agglomerates which are a collection of smaller nanometer-sized particles. The dependence of the band gap of the synthesized films on their thickness is found.

The particle size-dependent optical band gap and magnetic properties of Fe-doped CeO2 nanoparticles

Fe-doped CeO2 (0%–0.08%) nanoparticles have been synthesized by chemical precipitation method. The nanoparticles have been investigated using thermogravimetric analysis (TGA), X-ray diffraction (XRD), transmission electron microscope (TEM), UV–Vis spectrometer and Vibrating sample magnetometer (VSM) techniques. XRD data exhibited the cubic zincblende type structure for Fe-doped CeO2 nanoparticles. The size of nanoparticles was found to decrease from 20 nm (0%) to 14 nm (8%) with increasing Fe concentration which is confirmed by TEM micrographs. The optical absorption spectra of the nanoparticles show the blue-shift of the wavelength of absorption maximum from 550.2 nm to 336.4 nm with increasing Fe concentration owing to decreasing in particle size. The energy band gap was found to increase slightly with increasing the Fe doping level which was attributed to the decrease in the particle size with Fe content originated from quantum confinement effect. The doped Fe-doped CeO2 nanoparticles revealed room temperature ferromagnetism.

Stability of SiC and SiN interfaces in titanium carbide and nitride based heterostructures

First-principles molecular dynamics simulations of the stability of the NaCl-type (B1) SiC and SiN interfaces in TiX/one multilayer SiY (X,Y=C,N) heterostructures were carried out as functions of temperature. It was previously shown that the SiX interfaces in the heterostructures based on transition metal compounds could be dynamically unstable owing to the elongated interfacial Si-X bonds compared to the Si-X bonds in the B1-SiX phases in equilibrium. However, this criterion is not satisfied for some SiX(111) interfaces. The aim of this work is to study the temperature-induced changes in the structure of the heterostructures under consideration and to clarify a possible origin of instability of the interfaces in them. It is shown that, at finite temperatures, the interfacial layer in the TiN(001)/SiC heterostructure transforms into the zinc blende-type (B3) SiC-like layer, whereas the interfaces in other (001) heterostructures transform into amorphous-like interfacial layers. The TiC(111)/SiC and TiN(111)/SiN heterostructures are stable up to 1400 K. The TiN(111)/B3-like SiC and TiC(111)/B3-like SiN systems form during static relaxation of the initial heterostructures. The phase transformations of the interfaces are explained in terms of dynamical and elastic stability criteria. In contrast to the (111) interfacial layers, all the B1-(001) interfaces are found to be dynamically unstable. The formation of the B3-(111) interfaces occurs due to the elastic instability of the corresponding B1-(111) interface.

Potential of Critical High-technology Metals in Eastern Alpine Base Metal Sulfide Ores

The chemical composition of Zn‑, Cu and Fe sulphides in base metal mineralizations of the Eastern Alps was investigated using laser ablation-ICP-MS methods, with a focus on the concentration of high-technology, critical metals. A total of more than 6300 in-situ analyses were carried out on 311 polished sections representing 27 individual mineralizations. These comprise carbonate-hosted Pb-Zn deposits of the Bleiberg-type, stratiform deposits in Paleozoic metasediments and metavolcanic rocks (e. g. Arzberg, Walchen) and vein-type mineralization (e. g. Koprein, Metnitz). Two sphalerite types emerge: type (1) is poor in Fe (<1%), Mn, Co, Ga, In, Sn, Sb, but significantly enriched in Ge (up to >500 ppm), As, Tl and Pb; it is restricted to carbonate-hosted non-metamorphosed sediments. (2) Sphalerite elevated in Fe, Co, Ni, Cu, Ag, In and Sn in stratiform and vein-type ores hosted by Paleozoic low to medium grade metamorphic rocks. Large variations exist among both groups, and unusual compositions were also encountered, e. g. vein-type ores showing a Ge-Sb-Co association at Metnitz, Gurktal nappe. Chalcopyrite associated with type (2) sphalerite may have high Ag and In concentrations. Pyrite and pyrrhotine are carriers of Co, Ni and As. The highest potential for Ge is associated with carbonate-hosted ores in the Drauzug and Karawanken Mountains. For Co and In, low potentials are associated with some of the larger stratiform mineralizations.

Structural and optical characterization of CdSe nanocrystals (NCs) embedded into a porous silicon nanostructure

The aim of this work is to study the effect of cadmium selenide nanocrystals (CdSe NCs) incorporation into porous silicon (PS) on its structural and opto-electronic properties using a simple method. We focused our investigation on the effect of thermal annealing after the deposition of CdSe into the (PS) layer. Obtained results prove the beneficial role of this treatment and its dependence with temperature. The CdSe NCs was incorporated into the PS layer by spin coating method and then annealed in ambient atmosphere for 30 min at different temperatures between 150 and 300 °C. The effect of thermal annealing on the structural and optical properties of the treated PS with CdSe NCs was investigated using Fourier transmission infrared spectroscopy (FTIR), X-ray diffraction (XRD), Scanning electron microscope (SEM), UV-vis-NIR spectrometer, WTC-120 lifetime tester and PL spectroscopy. The X-ray diffraction results clearly revealed the phase transformation of the deposited CdSe from metastable nanocrystalline cubic (zinc blende type) to a mixture of cubic and hexagonal (wurtzite type), and finally into stable hexagonal. A decrease in the reflectivity was obtained after incorporating the CdSe NCs onto the PS layers, before and after annealing. The samples PS treated with CdSe NCs show an important enhancement in the minority carrier lifetime (τeff) indicating an improved surface quality in comparison with the untreated sample (reference). The photoluminescence intensity shows an obvious dependence with the variation of the annealing temperature compared to the untreated porous silicon layer.

Micro-scale sulfur isotope and chemical variations in sphalerite from the Bleiberg Pb-Zn deposit, Eastern Alps, Austria

The Bleiberg Pb-Zn deposit in the Drau Range is the type locality of Alpine-type carbonate-hosted Pb-Zn deposits. Its origin has been the subject of on-going controversy with two contrasting genetic models proposed: (1) the SEDEX model, with ore forming contemporaneously with sedimentation of the Triassic host rocks at about 220 Ma vs. (2) the epigenetic MVT model, with ores forming after host rock sedimentation at about 200 Ma or later. Both models assume that, on a deposit or even district scale, a fixed paragenetic sequence of ore minerals can be established. The results of our detailed petrographic, chemical and sulfur isotope study of two key ore-samples from two major ore horizons in the Wetterstein Formation at Bleiberg (EHK02 Erzkalk horizon and Blb17 Maxer Bänke horizon) demonstrate that there is no fixed paragenetic sequence of ore minerals. Small-scale non-systematic variations are recorded in textures, sphalerite chemistry and δ34S. In each sample, texturally different sphalerite types (colloform schalenblende, fine- and coarse-grained crystalline sphalerite) co-occur on a millimeter to centimeter scale. These sphalerites represent multiple mineralization stages/pulses since they differ in their trace element inventory and in their δ34S. Nonetheless, there is some correspondence of sphalerite micro-textures, sulfur isotope and chemical composition between the two samples, with microcrystalline colloform schalenblende being Fe-rich, having high Fe/Cd (15 and 9, respectively) and a light sulfur isotope composition (δ34S −26.0 to −16.2‰). Cadmium-rich and Fe-poor sphalerite in both samples has relatively heavier sulfur isotope composition: in sample EHK02 this sphalerite has Fe/Cd of ∼0.5 and δ34S from −6.6 to −4.6‰; in sample Blb17 Fe/Cd is ∼0.1 and δ34S ranges from −15.0 to −1.5‰. Barite, which is restricted to sample EHK02, has δ34S ≈ 17‰. The large variations in δ34S recorded on the mm to cm-scale is consistent with variable contributions of reduced sulfur from two different sulfur reservoirs. The dominant reservoir with δ34S values <−20‰ likely results from local bacteriogenic sulfate reduction (BSR), whereas the second reservoir, with δ34S about −5‰ suggests a hydrothermal source likely linked with thermochemical sulfate reduction (TSR). Based on this small- to micro-scale study, no simple, deposit-wide paragenetic and sulfur isotope evolution with time can be established. In the Erzkalk ore (sample EHK02) an earlier Pb-Zn-Ba stage, characterized by heavy sulfur isotope values, is succeeded by a light δ34S-dominated Zn-Pb-F stage. In contrast, the several mineralization pulses identified in the stratiform Zn-Pb-F Maxer Bänke ore (sample Blb17) define a broad trend to heavier sulfur isotope values with time. The interaction documented in these samples between two sulfur reservoirs is considered a key mechanism of ore formation.

Identification of trapping and recombination levels, structure, morphology, photoluminescence and optical absorption behavior of alloyed ZnxCd1−xS quantum dots

Cubic ZnxCd1−xS nanoparticles (NPs) synthesized by chemical precipitation method with average crystallite size of 2.9 ± 0.2 nm were characterized using X-ray diffraction (XRD), X-ray fluorescence (XRF), high-resolution transmission electron microscope (HRTEM), UV–vis absorption, Fourier transform infrared red (FTIR), photoluminescence (PL) emission and Raman spectroscopy. XRD analysis demonstrated systematic shift of diffraction peaks to higher diffraction angles accompanied by a decrease in the lattice parameters with increasing Zn content (x); this confirmed the formation and homogeneity of ZnxCd1−xS nanoalloys. In addition, the dependence of lattice parameters and Raman shift on x showed linear behavior and good agreement with Vegard's law. TEM images of ZnxCd1−xS NPs revealed nearly spherical shape NPs, relatively narrow particle size distribution and standard deviation in the range 1.8–3.4%.; as well as HRTEM images showed well resolved diffraction crystalline planes of zinc-blende cubic type structure. Analysis of optical absorption spectra showed blue shift of both the direct optical band gap from 3.25 to 4.05 eV and excitonic absorption shoulder from 2.56 to 3.88 eV with increasing x, confirming the homogeneity of ZnxCd1−xS alloyed semiconductor NPs. At excitation wavelength 325 nm, the deconvoluted structural defects related PL emission bands are broadened and revealed stronger PL intensity than that at 370 nm. Furthermore, increasing x resulted in PL enhancement accompanied by blue shift of green emission band centered at 515 nm–445 nm. To explain composition dependent PL emission process; trapping and recombination localized levels in ZnxCd1−xS alloyed NPs were identified quantitatively and an energy band diagram was suggested.

Copper iodide synthesized by iodization of Cu-films and deposited using MOCVD

We report the thin film deposition of copper iodide with zincblende type structure (γ-CuI) via metal-organic chemical vapor deposition (MOCVD). Single crystals and thin films of Cu and γ-CuI could be formed on various substrates from cyclopentadienylcopper triethylphosphine (CpCuPEt3) and ethyliodide (C2H5I) as precursors for copper and iodine, respectively. Additionally, the chemical reaction behavior of thermally evaporated and MOCVD deposited elemental copper films with C2H5I is examined. SiO2 glass and various single crystalline oxides and semiconductors were used as substrates. For all cases X-ray diffraction measurements revealed polycrystalline γ-CuI with zincblende type structure; other CuI phases could not be detected. Photoluminescence measurements show a broadened peak at 420nm due to donor-acceptor pair recombination. Intense peaks at shorter wavelengths are attributed to excitonic emissions.

Pressure effects on the thermodynamic and mechanical properties of zinc-blende ZnTe compound

In this paper, the moment method in statistical mechanics has been employed to study the pressure effects on thermodynamic and mechanical properties of zinc-blende zinc telluride using many-body potential. We have derived the analytical expressions of the pressure-dependent lattice parameter, volume compression as well as mean-square displacement of zinc-blende type compound. Numerical calculations performed for ZnTe compound up to 12 GPa are found to be in good and reasonable agreement with available experimental data as well as with previous theoretical studies. These results have been used to evaluate the bulk modulus and its first pressure derivative of ZnTe. The present moment method has taken into account the quantum zero-point vibrations at low temperature and the higher-order anharmonic terms in the atomic displacements. This research shows the advantage of moment method on extensively studying thermo-mechanical properties of materials under high pressures.

Structural, Electronic, and Optical Properties of Cu2NiSnS4: A Combined Experimental and Theoretical Study toward Photovoltaic Applications

Earth-abundant quaternary chalcogenides are promising candidate materials for thin-film solar cells. Here we have synthesized Cu2NiSnS4 nanocrystals and thin films in a novel zincblende type cubic phase using a facile hot-injection method. The structural, electronic, and optical properties are studied using various experimental techniques, and the results are further corroborated within first-principles density functional theory based calculations. The estimated direct band gap ∼ 1.57 eV and high optical absorption coefficient ∼ 106 cm–1 indicate potential application in a low-cost thin-film solar cell. Further, the alignments for both conduction and valence bands are directly measured through cyclic voltametry. The 1.47 eV electrochemical gap and very small conduction band offset of −0.12 eV measured at the CNTS/CdS heterojunction are encouraging factors for the device. These results enable us to model carrier transport across the heterostructure interface. Finally, we have fabricated a CNTS solar cell device for the first time, with high open circuit voltage and fill factor. The results presented here should attract further studies.

High Pressure Band Structure, Density of States, Structural Phase Transition and Metallization in CdS

The electronic band structure, density of states, metallization and structural phase transition of cubic zinc blende type cadmium sulphide (CdS) is investigated using the full potential linear muffin-tin orbital (FP-LMTO) method. The ground state properties and band gap values are compared with the experimental results. The equilibrium lattice constant, bulk modulus and its pressure derivative and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(E F )) gets enhanced under pressure, which leads to metallization in CdS. The pressure corresponding to structural phase transition from ZnS structure (B3) to the NaCl structure (B1) is 0.0168 Mbar in CdS. The metallization pressure PM is 6.9133 Mbar.

Quasi-linear correlation between high-frequency and static die-lectric constants in II-VI and III-V semiconductors

A quantitative form of the linear correlation between the high-frequency and static dielectric constants in ANB8-N (N = 2, 3) tetrahedrally coordinated semiconductor materials, and also in I-VII group alkali halides was studied. So, a quasi-linear relationship was found between the high-frequency and the static dielectric constants for some selected II-VI (ZnS, ZnSe, ZnTe and CdTe) and III-V (AlP, AlAs, AlSb,….etc) cubic zincblende type materials, in the other side a weak uphill linear relationship has been found in the case of I-VII (LiF, NaF, LiCl,….etc) group alkali halides compounds. In the case of II-VI and III-V cubic zincblende semiconductors, the linear regression is established with a correlation coefficient ( ) of about 0.98. The significance of the linear regression is given as the probability P &lt;0.0001 of the null hypothesis.

Observation of spontaneous spin-splitting in the band structure of an n-type zinc-blende ferromagnetic semiconductor.

Large spin-splitting in the conduction band and valence band of ferromagnetic semiconductors, predicted by the influential mean-field Zener model and assumed in many spintronic device proposals, has never been observed in the mainstream p-type Mn-doped ferromagnetic semiconductors. Here, using tunnelling spectroscopy in Esaki-diode structures, we report the observation of such a large spontaneous spin-splitting energy (31.7–50 meV) in the conduction band bottom of n-type ferromagnetic semiconductor (In,Fe)As, which is surprising considering the very weak s-d exchange interaction reported in several zinc-blende type semiconductors. The mean-field Zener model also fails to explain consistently the ferromagnetism and the spin-splitting energy of (In,Fe)As, because we found that the Curie temperature values calculated using the observed spin-splitting energies are much lower than the experimental ones by a factor of 400. These results urge the need for a more sophisticated theory of ferromagnetic semiconductors.

First-principles calculation of stable magnetic state and Curie temperature in transition metal doped III-V semiconductors

Stable magnetic state in the transition metal (TM) doped zincblende (ZB) type compounds (Al1−xMx)Sb and (Ga1−xMx)As are investigated on the basis of density functional theory, where M is the 3d TM atom namely Ti, V, Cr, Mn, Fe, Co, Ni and x is the fractional concentration of M. The electronic states and magnetic properties are calculated using the first-principles self-consistent Korringa-Kohn-Rostoker (KKR) Green's function method combined with the coherent potential approximation (CPA). Some of the calculated properties of ZB type materials (Al1−xMx)Sb and (Ga1−xMx)As exhibit stable ferromagnetic (FM) states relative to a corresponding disorder local moment (DLM) states. The total energy difference between FM and DLM states per unit cell is used to estimate their Curie temperature (TC) within the mean-field approximation. The calculated TC in Mn, and Cr doped cases are found to be above the room temperature (RT), whereas in Ti, and V doped cases TC remain below the RT. In addition, TC increases with doping concentrations in a range of dilute limit (x ≈ 20%) of magnetic atoms. On the other hand, Fe, and Co doped materials exhibit FM instability due to the dominating super-exchange interaction over the FM one.