Elements Gd Research Articles

Mineral and rare earth element distribution in the Tunçbilek coal seam, Kütahya, Turkey

The mineral and rare earth element distributions of Tunçbilek coal, Turkey were studied and their potential to be a source for REY was investigated. The studied samples were taken from the BYJ, BYL, 48P open-pit mine panels and Ömerler and İğdekuzu underground mines. In order to observe the mineral and REE element distributions along the coal seam profile, samples were taken by using channel sampling method from the BYJ, BYL and 48P open-pit mine panels. On the other hand, representative samples which represent the whole coal seam including partings and clayey layers were taken from the same open-pit mine panels, İğdekuzu and Ömerler undergroud mines to investigate the REE distributions in the coalfield. The proximate, ICP-OES, XRF, SEM and XRD analyses were performed on the samples. Quartz, kaolinite and dolomite are the most abundant minerals in the samples. Smectite, mica, illite, pyrite and siderite are the second common minerals. In a few samples, alkali feldspar, chlorite, gypsum, jarosite, magnetite, feldspar, vermiculite and zeolite minerals are identified. In addition, monazite, florencite, baryte and thorite were detected in minor amounts using SEM analyses. The most abundant major oxides are SiO2, Al2O3, MgO, Fe2O3, CaO and SO3 respectively. The K2O, MnO, Na2O, P2O5 and TiO2 major oxides are occur in lesser amounts. Kaolinite and quartz minerals might be the main sources of Al2O3 and SiO2 in the samples. The MgO, CaO, Fe2O3 and SO3 major oxides can be derived from mainly dolomite, siderite, feldspar, smectite, montmorillonite, serpentine and pyrite. The P2O5 and TiO2 are derived from the apatite, monazite, florencite, clay and mica minerals. The La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Ho, Tm and Lu elements in the samples have higher concentrations than the World brown coal averages. The total REY and LREY concentrations show similar distributions and reach high values at the south of the coal basin. However, the HREY and MREY concentrations are high at the Ömerler underground mine. The coal layers show HREY enrichment whereas the clayey coal and clayey layers indicate LREY type enrichment. The Ce, Eu, La, Nd and Sm elements are associated with the clay and phosphate minerals. Moreover, the Dy, Er, Gd, Ho, Lu, Pr, Tb, Tm and Yb are related to the pyrite, siderite and dolomite. The REY concentration in the Tunçbilek Basin is probably related to the terrigenous, tuffaceous and hydrothermal types of accumulations. The total REY concentration of the samples is below the cut-off grade (1000 μg/g) although the concentration coefficients of the Tunçbilek coal samples indicate slight enrichment. Based on the relation between cut-off grade and Coutl values, the Tunçbilek coal cannot be a potential source of REY.

Negative magnetization induced by particle-size reduction in Gd1−xCaxMnO3 nanoparticle systems

We report a pervasive phenomenon of gradual emergence of negative magnetization in typical $R_{1-x}D_x$MnO$_3$ orthorhombic perovskite manganites in nano form (with $R^{3+}$ being a trivalent high-magnetic-moment ion from the heavier rare-earth elements Gd, Tb, Dy and $D^{2+}$ refers to divalent alkaline elements Sr, Ca, etc.), while the bulk form manifests no negative magnetization. Extensive magnetization studies have been carried out in Gd$_{1-x}$Ca$_x$MnO$_3$ manganites around half doping. We demonstrate experimentally that particle size reduction in nano-form manganites enhances the propensity of the system to exhibit negative magnetization and provide a theoretical explanation for the phenomenon. To test the universality of our findings, we have extended the measurement to Dy$_{0.6}$Ca$_{0.4}$MnO$_3$ and obtained similar results.

Local Structure and L1- and L3-Edge X-ray Absorption Near Edge Structures of Middle Lanthanoid Elements (Eu, Gd, Tb, and Dy) in Their Complex Oxides.

Relationship between the local structures of middle lanthanoid elements (Ln; Eu, Gd, Tb, and Dy) in their complex oxides and the characteristic features of the L1-edge and L3-edge X-ray absorption near edge structure (XANES) was investigated. There was a significant correlation between the pre-edge peak areas of the Ln L1-edge or the full widths at half maximum of the white line of the Ln L3-edge XANES spectra and the abstract physical indexes defined by bond angles formed by the middle Ln elements and the two adjacent oxygen atoms, which act as indicators of local configurational disorder of the target element. Theoretical simulation based on multiple scattering theory revealed that the pre-edge peak in the Ln L1-edge XANES spectra originates due to the p-d hybridization that occurs above the Fermi energy. This systematic survey demonstrated a universal method to estimate the local structure of the middle Ln elements by means of XANES spectroscopy.

Preparation of Ti/SnO2-Sb/Rare Earth Electrodes Containing Different Contents of Ni Intermediate Layer for Efficient Electrochemical Decolorization of Rhodamine B

Water contamination by dyes discharged from many industries is an environmental issue of great matter. Electrochemical oxidation is an advanced approach for wastewater treatment. In this study, the composite electrodes of Ti/SnO2-Sb-Ni/rare earth have been modified using rare earth elements (Re) Gd, Ce, Eu, and Er and various molar ratios of tin and nickel intermediate layer, and their electrochemical oxidation effects were scrutinized. To analyze the decolorization performance of the electrodes, Rhodamine B (RhB) dye was utilized as a target pollutant. Accelerated life testing indicated that the longer service life could be observed in Ni (3.5%)/Re and Ni (5%)/ Re electrodes compared with other modified Ni (0%, 1%, and 2%)/Re electrodes. Compared with the color removal efficiencies of the Ni (2%)/Re electrodes, the decolorization rate of 90% after treatment for 60 min and the low energy consumption of 3.621 kW h·m−3 can be achieved at the Ni (2%)/Gd electrode under the experimental condition of 100 mg·L−1 RhB. The best decolorization rate was observed at the Ni (2%)/Re electrodes among other Ni and no adding Ni-doped Re electrodes. The characterization of the electrodes was described, consisting of surface morphology, oxygen evolution potential, and a crystallographic and elemental combination of the coatings.

Controllable fabrication of a super broadband antireflection film: Gd: MgO nanoparticles composite film by pulsed laser deposition method

A series of Gd nanoparticles (NPs): MgO composite films with different Gd contents were prepared using pulsed laser deposition (PLD) method. The state of Gd element was confirmed by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) analysis. Transmission electron microscopy (TEM) images show that Gd NPs were uniformly embedded in a single crystal MgO film and formed a subwavelength microstructure. Ultraviolet–visible (UV–vis) spectra show that the transmittance of the samples first increased and then decreased with the increase in the number of laser pulses focused on Gd target from 50 to 800. The highest transmittance of 88.6% (1000–1900 nm) was obtained at a pulse number of 200. The transmittance of all the samples is higher than that of MgO substrate (86.8%, 1000–1900 nm), i.e., a super broadband antireflection phenomenon is observed, and the maximum antireflection wavelength ranges from 500 nm to 2500 nm. This can be explained by effective medium theory (EMT). In this study, super broadband antireflection based on the microstructure formed by embedding NPs in homoepitaxial films is reported.

Corrosion resistance of non-stoichiometric gadolinium zirconate fabricated by laser-enhanced chemical vapor deposition

Gadolinium zirconate (GZ) is a promising candidate for next-generation thermal barrier coating (TBC) materials. Its corrosion resistance against calcium-magnesium-alumino-silicate (CMAS) needs to be further increased for enhancing its in-service life. As the Gd element plays an important role in the CMAS resistance, three GZ coatings (GZ-0.75, GZ-1.0, and GZ-1.2) with different Gd/Zr atomic ratios are designed and deposited by laser enhanced chemical vapor deposition (LCVD) in this work. It is found that the generated Gd-apatite in GZ-1.2 would block micro-cracks inside the column structure and the inter-columnar gap more efficiently. Thus, the CMAS penetration rate (5.2 μm/h) of GZ-1.2 decreases over 27% comparing with GZ-1.0 and GZ-0.75, which is even lower than the Gd2Zr2O7 coatings fabricated by electron-beam physical vapor depositions (EB-PVDs). This work provides a feasible way to adjust the coating’s corrosion resistance and may guide the development of future coating for long in-service life.

Determination of the effect of temperature on relative L X-ray intensity ratio of gadolinium, dysprosium and erbium

In this study, Lα/Lβ1 and Lα/Lβ2 X-ray intensity ratios for gadolinium, dysprosium and erbium elements were experimentally determined. L X-ray intensity ratio measurements were gauged at several temperatures (50, 100, 50, 150, 200, 250, 300, 350 and 400 °C) using an excitation energy of 59.54 keV γ-rays emitted from a 100 mCi 241Am radioactive source. L X-ray emission spectra were detected using a Si (Li) detector system with a resolution of 160 eV at 5.96 keV coupled with a computer-controlled multi-channel analyzer. L X-ray production cross-sections (σLα, σLβ1 and σLβ2) of the lanthanide elements were calculated by assessing the emission spectra. The variation with temperature of each parameter was given in graphical forms and tabulated. It was observed that the parameters were affected by temperature. According to these results, it is determined that the L X-ray intensity ratios and L X-ray production cross-sections of pure Gd, Dy and Er elements changed and were affected by temperature.

Effect of Rare Earth Elements at Amorphous ReAlO3/SrTiO3 (Re = La, Pr, Nd, Sm, Gd, and Tm) Heterointerfaces.

Although the amorphous two-dimensional electron gas (a-2DEG) of oxides provides new opportunities to explore nanoelectronic as well as quantum devices, the intrinsic effect of rare earth (Re = La, Pr, Nd, Sm, Gd, and Tm) elements at ReAlO3/SrTiO3 heterointerfaces is still largely unknown and needs to be addressed systematically. Herein, we first propose that the ionization potential of Re elements is a critical factor for the 2DEG fabricated by chemical spin coating. Furthermore, the photoresponsive properties of heterointerfaces are investigated comprehensively with the ionization potential ranging from 35.79 to 41.69 eV. The results show that the sheet resistances significantly increase with increasing the ionization potential, and a resistance upturn phenomenon is observed at TmAlO3/SrTiO3 heterointerfaces, which can be attributed to the weak localization effect theoretically. The most important observation is the dramatic transition from negative (-178.3%, Re = La) to positive (+89.9%, Re = Gd) photoresponse at ReAlO3/SrTiO3 heterointerfaces under the irradiation of 405 nm light at 50 K. More remarkably, a unique recovery behavior of transient-persistent photoconductivity coexistence at low temperatures is discovered at the TmAlO3/SrTiO3 heterointerface. This work reveals an effective approach to tune the transport and photoresponsive properties by changing Re elements and paves the way for the application of all-oxide devices.

Rare-earth-regulated Ru-O interaction within the pyrochlore ruthenate for electrocatalytic oxygen evolution in acidic media

Ruthenium-based catalyst is one of the most active catalysts for oxygen evolution reaction (OER) in acid media. However, the strong bonding between the Ru sites and oxygen intermediates leads to high overpotential to trigger the OER process. Hence, pyrochlore rare-earth ruthenate (RE2-Ru2O7) structures with a series of rare-earth elements (Nd, Sm, Gd, Er, and Yb) were constructed to tune the electronic structure of the Ru sites. Surface structure analysis indicated that the increase of the radius of the rare-earth cations resulted in higher content of defective oxygen (the percentage of the defective oxygen increased from 29.5% to 49.7%) in the RE2Ru2O7 structure due to the weakened hybridization of the Ru-O bond. This reduced the valence states of the Ru sites and enlarged the gap between the 4d band center and the Fermi level (EF) of Ru, resulting in the weakened adsorption of oxygen intermediates and the improved OER performance in acid media. Among the as-prepared ruthenium pyrochlores, Nd2Ru2O7 displayed the lowest OER onset overpotential (210 mV) and Tafel slope (58.48 mV dec−1), as well as 30 times higher intrinsic activity and much higher durability than the state-of-art RuO2 catalyst.

Investigation of the structural, magnetic, and cooling performance of AlFe thin film and AlFeGd nanometric giant magnetocaloric thin films

Giant magnetocaloric thin films are promising materials for new generation energy-efficient cooling systems. To investigate the cooling performance of AlFe and AlFeGd alloys, thin films have been deposited onto a glass substrate by thermionic vacuum arc (TVA) deposition system. TVA is a physical vapor deposition technology; it works in high vacuum and low-temperature conditions. AlFe and AlFeGd thin films are of significant importance for giant magnetocaloric materials. The surface and magnetic properties of a magnetic material are strongly dependent on the deposition process. In this paper, the structural, magnetic, and cooling performances of AlFe alloys with and without the Gd element have been investigated. When the Gd elements are added to AlFe alloys, the size of crystallite and the surface morphology of the giant nanometric magnetocaloric thin films are altered. The size of crystallite decreases to a lower value due to the Gd element added. According to the results of the elemental analysis, the elemental ratios of the AlFe and AlFeGd thin films were measured as (87:13) and (84:4:12), respectively, which are different from the ones reported previously. Magnetic cooling performance and magnetization strongly depend on these ratios. The mean values of crystallite size for the AlFe thin film and AlFeGd nanometric giant magnetocaloric thin film were measured as 50 nm and 12 nm, respectively. Following the Curie temperature of AlFeGd thin film, and the temperature difference it produces in the studied magnetic fields, 60 successive units of this material are assumed to form a magnetic refrigeration cycle. The coefficient of performance of this cycle is calculated to be 2.084—nearly two times better than the suggested cascade vapor-compression cycles in the same temperature range. This fact alongside the solid-state and environmentally friendly attributes of magnetic refrigeration cycles makes the AlFeGd thin films a strong candidate for accomplishing an efficient refrigeration system.

Electrodeposition and Characterization of Lanthanide Elements on Carbon Sheets

Electrochemical coating and recovery by electrodeposition have been invaluably employed for facial thin film fabrication and the recycling of used materials. Herein, we have established a full data set of lanthanide (Ln: La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb) elements electrodeposited on carbon sheets. Cyclic voltammetry was performed for 10 mM Ln(III) ions in a 0.1 M NaClO4 electrolyte over a carbon sheet between +0.5 V and −1.7 V (vs. Ag/AgCl). Amperometry was performed at a given potential to electrodeposit the Ln element on the carbon sheet. Their physicochemical properties were fully investigated by scanning electron microscopy, Fourier-transform infrared spectroscopy, energy-dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy. The newly established full data set for Ln(III) ions over carbon electrodes provides useful fundamental information for the development of coating and recovery methods of Ln elements.

Effects of content and distribution of Zn and Gd on formation ability of I phase and W phase in Mg‒Zn‒Gd‒Zr alloy

The solid solution and compounds in Mg‒Zn‒Gd‒Zr magnesium alloy semicontinuous casting ingots were effectively separated by phase separation technique，the solid solution quantity of Zn and Gd as well as the mass ratio of Mg3GdZn6 (I phase) and Mg3Gd2Zn (W phase) compounds were determined, and the mass fraction of I phase and W phase were calculated. The results show that increasing the initial Zn/Gd ratio in as-cast alloys increases the ratio of I and W phases, increasing the content of Zn and Gd under a certain Zn/Gd ratio increases the amount of I and W phases simultaneously. I phase and W phase form in the residual melt of primary α-Mg crystallization, the changes of the distribution of Zn and Gd in the alloy will affect the composition of the residual melt, thus affecting the forming ability of I phase and W phase. After homogenization, I phase disappears, W phase increases and total amount of ternary phase decreases. The Gd element in the newly formed W phase comes from the decomposed I phase and the supersaturate solid solution, while the Zn decomposed from I phase and more than that required for the newly formed W phase diffused to the solid solution.

Facile synthesis of Er3+/Tm3+ co-doped magnetic/luminescent nanosystems for possible bioimaging and therapy applications

Manganese-zinc ferrite is a kind of very important magnetic ferrite material. The properties of wide absorption band, sensitivity to ultraviolet (UV) light and tumor H2O2 promise it to be possibly used as a photothermal therapy (PTT), photodynamic therapy (PDT) and chemodynamic therapy (CDT) agent. Based on the unique advantages of rare-earth doped nanoparticles, an Er3+, Tm3+ co-doped upconversion-mediated nanosystem with manganese-zinc ferrite shell (named as UCNPS@M) was developed through a facile thermal co-decomposition method. The final nanosystems were surface-modified by using dopamine hydrochloride (DA) in order to warrant good biocompatibility (named as UCNPS@M@DA). Under irradiation of near-infrared (NIR) light, UCNPS emit both ultraviolet and visible light. The UV light is mostly absorbed by manganese-zinc ferrite shell to produce reactive oxygen species (ROS), which is essential to the potential PDT and CDT effect of nanosystems, and at the same time, Mn0.5Zn0.5Fe2O4 can further react with H2O2 to promote the efficiency of •OH-generation. It is expected that UCNPS@M@DA can act as upconversion luminescence imaging guidance due to the visible emission from UCNPS. In addition, the energy absorbed by the nanosystems can be transferred to heat to realize photothermal effect. Moreover, UCNPS@M@DA was successfully applied as a T1/T2-weighted magnetic resonance imaging (MRI) contrast agent due to the existence of Gd, Mn, and Fe elements. In light of the upconversion luminescence (UCL) imaging from the UCNPS as well as potential PTT, PDT, CDT effect mentioned above, this work provides a possibility to realize cancer multi-model bioimaging guided treatment by using an all-in-one diagnosis and therapy nanosystem through a simple yet powerful strategy.

Crystallization behavior, soft magnetic properties and good bending ductility of high Fe content FeSiBCuPC alloys induced by composition design

Effects of the minor addition of similar ferromagnetic elements (Fe, Co, Ni, and Gd), metal element with strong non-metallic properties (Al), and transition metal elements with large atomic radius (V, Hf, Ti, and Cr) on crystallization behavior, magnetic properties and bending ductility of Fe85Si0·5B9P4Cu0·5C0.1M0.9 alloys were systematically investigated. The addition of Al, Ni, and Co improves the thermal stability and inhibits the growth of the α-Fe grains. Besides, Gd addition causes a large temperature interval, which suppresses the precipitation of secondary phase. Through the optimum heat treatments, the nanocrystalline alloys exhibit excellent soft magnetic properties, such as higher Ms of 191.7–208.7 emu/g and lower Hc of 6.7–12.1 A/m. Due to the nature of brittleness, the shear morphology induced by elemental microalloying is critical for understanding microscopic mechanism of plastic deformation and achieving high toughness amorphous alloys. We demonstrate that the formation of shear bands are related to the degree of amorphization, shear transformation zones and Poisson’s ratio.

Enhanced Bulk Transport in Copper Vanadate Photoanodes Identified by Combinatorial Alloying

<h2>Summary</h2> The impact of alloying on the performance of β-Cu₂V₂O₇ photoanodes was investigated using inkjet printing of composition libraries containing 1,809 Cu₂V₂O₇-based photoanodes. Six elements (Zr, Ca, Hf, Gd, La, and Lu) were alloyed and pairwise co-alloyed at concentrations up to 7 at % into Cu-rich, stoichiometric, and Cu-deficient host Cu₂V₂O₇. A 1.7-fold increase in oxygen evolution photocurrent in pH 9.2 electrolyte was obtained by alloying Ca into β-Cu₂V₂O₇. Experiments employing a hole scavenger to better characterize bulk charge separation and transport revealed a 2.2-fold increase in photoactivity via alloying with Hf, Zr, and La, which increased to 2.7-fold upon co-alloying these elements with Ca. Concurrent with increased photoactivity is substantially decreased photon absorption between 1.5 and 2 eV, a range reported to coincide with high exciton absorption in β-Cu₂V₂O₇, motivating further exploration of whether these co-alloy compositions may destabilize the excitonic state that appears to have limited performance to date.

Corrosion behaviour and cytocompatibility of selected binary magnesium-rare earth alloys

Abstract The corrosion behaviour of as-cast binary Mg–0.3Ce, Mg–1.44Nd, Mg–0.63Gd and Mg–0.41Dy (wt%) alloys was investigated in DMEM+10% FBS solution using electrochemical and weight loss tests. The results revealed that the alloys with heavy RE elements (Gd and Dy) exhibited the lowest corrosion rate compared to the alloys with light RE elements (Ce and Nd). The cytocompatibility of the Mg–RE alloys was assessed via live/dead straining after 3 and 7 days. The results show that Mg–0.63Gd alloy is a suitable candidate for biomedical applications.

Nanostructural evolution of intermediate grown superconducting joint layers between GdBa2Cu3Oy coated conductors

We have fabricated GdBa2Cu3Oy (GdBCO) jointed coated conductors (CCs) using a method in which intermediate grown superconductive (iGS) layers of (Y,Gd)Ba2Cu3Oy ((Y,Gd)BCO) are formed from an YBa2Cu3Oy precursor material to investigate their growth mechanism in the superconducting joint. We characterized the nanostructural evolution of the iGS layers by in-plane x-ray diffraction, transmission electron microscopy, and scanning transmission electron microscopy. The iGS layers contained Gd elements and were mainly composed of (Y,Gd)BCO grains. The c-axis oriented (Y,Gd)BCO grains nucleated on the GdBCO layers of both a joining strap and a CC. The thickness of the c-axis oriented (Y,Gd)BCO grains grew with time during the joining process at 800 °C, and finally both of the GdBCO layers were jointed together by the c-axis oriented (Y,Gd)BCO grains, resulting in a well-defined superconducting joint.

Point defect engineering and machinability in n-type Mg3Sb2-based materials

Approaching practical thermoelectric devices require high-performance and machinable thermoelectric materials. However, the currently available materials are usually brittle. In this work, Nd-doped Mg3Sb2-based compounds exhibit not only excellent thermoelectric performance but also superior machinability. Mg3.2Nd0.03Sb1.5Bi0.5 exhibits a high power factor of 20.6 μW cm−1 K−2 at 725 K and a peak zT of 1.8, which mainly originates from the increased n of ~8 × 1019 cm−3 by Nd/Mg substitutional defects. Defect calculations predict that other rare earth elements (Sm, Gd, Tb, Dy and Ho) have the same effect as Nd on Mg3Sb2 and the predicted highest achievable electron concentrations at 700 K are ~1020 cm−3. The measured hardness, Young's modulus and fracture toughness of Mg3.2Nd0.03Sb1.5Bi0.5 are 1.1 GPa, 49.8 GPa and 1.4 MPa m1/2, respectively. In addition, the sample can be easily machined into the dog-bone shape with external thread at both ends, indicating the excellent machinability of Mg3Sb2-based materials. This work suggests a bright future of Mg3Sb2-based thermoelectric materials for practical applications and device fabrication.

Instrumental neutron activation analysis of lanthanides and coexisting elements in monazite samples and group separation using synthesized inorganic ion exchangers

Abstract Samples of Egyptian monazite ore obtained from black sand of Abu-Khashaba, Rashied (Rosetta) area on the Mediterranean Sea coast were analyzed for some lanthanides and coexisting elements using instrumental neutron activation analysis (INAA). The analyses were carried out qualitatively and quantitatively for the elements Ce, Nd, Eu, Gd, Tb, Yb and Sc, La as well as the accompanying elements Co, Cr, Fe, Hf, Nb, Zn, Zr in addition to the actinides Th and U; whereas after relatively longer decay time the following lanthanide elements were analyzed: Ce, Nd, Eu, Gd, Tb, Yb and Sc, beside the accompanying elements Co, Cr, Fe, Hf, Nb, Zn, Zr and Th. Two certified reference materials (CRM) were used in this study. For sorption studies, radioactive isotopes 141Ce, 160Tb, 169Yb, 95Zr, 181Hf, and 95Nb were prepared by neutron irradiation to trace the adsorption behaviors of their corresponding elements under certain conditions. Furthermore, radiochemical separation of the analyzed elements in the irradiated monazite samples in sulfuric acid solutions was carried out. Ion exchange technique was applied under static and dynamic conditions and the employed inorganic ion exchangers were locally synthesized and characterized using FT-IR and scanning electron microscopy (SEM) tools. Good group separation of the analyzed lanthanide elements from the accompanying elements was achieved.

New investigation of nanosized co-doped Gd-Sm anatase TiO2 structural, magnetic, optical, and first-principles study

For the time we investigated the structural, optical and magnetic properties of (Sm, Gd) co-doped TiO2 anatase nanoparticles, in addition to Sm-doped TiO2 anatase nanoparticles using sol–gel method. The X-ray diffraction confirmed the single phase of tetragonal anatase with space group I41/amd, where the crystallite size was found 7.2 nm and 8.8 nm for Ti0.99Sm0.01O2 and Ti0.99Sm0.005Gd0.005O2, respectively. The Fourier-transform infrared spectra showed the basic absorption bands in tetragonal anatase structure with a stretching vibration around 500 cm−1 assigned to Ti–O–M, M = (Gd, Sm). Raman spectroscopy demonstrated the presence of the six active vibrational modes for anatase TiO2. Scanning electron microscopy analysis revealed that the particles are spherical in nature and agglomerated. Energy-dispersive X-ray spectroscopy confirmed the high purity of the as-prepared materials. The UV–VIS analysis showed absorption in visible range, due to the electronic transition, which has been confirmed theoretically, also a slight decrease in the band gap was noticed compared to the pure TiO2 anatase. The magnetic measurements reveal the existence of weak ferro or ferrimagnetic behavior. In this work, it is the first time that experimental and theoretical results prove that rare earth ions are incorporated into the sites of the TiO2 lattice without the formation of separate phases. In addition, the experimental work carried out has revealed the importance of surface area, crystallinity, light absorption, the presence of oxygen vacancies and structural defects on the magnetic and more particularly optical properties with the highlighting of the intermediate energy level between the valence and conduction bands. This study was complemented by first-principles calculations to investigate the effects of doping anatase TiO2 with the rare-earth elements Sm and Gd on its structural, optical and magnetic properties.