Sb Atoms Research Articles

Light-induced topological phase transition via nonlinear phononics in superconductor CsV3Sb5

The recent observations of exotic quantum phenomena in AV3Sb5 (A = K, Rb, Cs) kagome superconductors have attracted significant attention in materials physics. Here, we propose an innovative two-frequencies laser model for ultrafast control of transient structural distortions. Using first-principles density functional theory in conjunction with the perturbative regime of nonlinear phononics, we investigate the nonharmonic potential energy, the crystal lattice dynamics and the topological properties of CsV3Sb5. We find that driving two infrared-active phonons of different frequencies promotes the desired Raman phonon vibrations, in which the displacement of Sb atoms is closely related to superconductivity. We demonstrate that the dimensional crossover and the topological nontrivial to trivial state transition of superconductor CsV3Sb5 can be triggered by ultrafast optical control. This work can be applied to other layered quantum materials and provide guidance for experiments related to photoinduced topology and superconductivity.

Synthesis, Structure and Chemical Bonding of Polyantimony Clusters Containing Coinage Metals [M2Sb14]4– (M = Cu, Ag)

Comprehensive SummaryBinary polyantimony clusters, namely [Cu2Sb14]4– and [Ag2Sb14]4–, containing coinage metals, were successfully synthesized and characterized, in which two homoatomic Sb73– subunits are bridged by two coinage metals in η4:η1 and η1:η1 coordination modes, respectively. In [Cu2Sb14]4–, two bridging Cu ions and two Sb atoms form a planar rhombic unit, which was revealed to have antiaromatic properties by theoretical calculations. Further electron structure and bonding analysis confirmed the presence of delocalized bonds in the rhombic unit and the metallophilic interaction between two formal M+ ions.

Incommensurately Modulated Cu0.9Pb1.2Sb2.9Se6 in the Lillianite Structure Type.

Samples with the nominal composition Cu0.9Pb1.2Sb2.9Se6 mainly contain a phase with incommensurately modulated lillianite-type structure with the respective composition. Single crystal diffraction with synchrotron radiation enabled a detailed refinement using the superspace group Cmcm(α00)00s with lattice parameters a = 4.16537(5), b = 14.0821(2), c = 19.8234(3) Å, and a modulation vector q = 0.6890(2)a* at room temperature. The structure is built up from tilted and distorted NaCl-type slabs that are interconnected by bicapped trigonal prisms, which mainly host Pb atoms, according to a 4L arrangement. Satellites up to the second order reveal positional and occupational modulation that mainly involves a sequence of Sb and Cu atoms and allows the Se substructure to adapt in a way that Sb and Cu feature predominantly octahedral and tetrahedral coordination, respectively. Above 523 K, satellite reflections disappear, and the crystal structure becomes more disordered with average coordination spheres of both Sb and Cu atoms corresponding to distorted octahedra. This phase transition leads to discontinuities in the evolution of lattice parameters and physical properties as functions of temperature. HRTEM investigations corroborate centrosymmetry and highlight atoms that are strongly affected by the modulation. Measurements of transport properties reveal a p-type semiconductor with a thermoelectric figure of merit up to 0.1 at 623 K. In accordance with B factor analysis, a small amount of substitution could increase zT significantly by optimizing the carrier concentration.

Lattice Thermal Conductivity in XMg2Sb2(X = Ca or Mg) Compounds: Temperature and High-Order Anharmonicity Effect

The binary compound Mg3Sb2 (also written as MgMg2Sb2) exhibits a much lower lattice thermal conductivity (κL) than its ternary analog CaMg2Sb2, despite its relatively low mass density and simple crystalline structure. Here, we perform a comparative first-principles study of the lattice dynamics in MgMg2Sb2 and CaMg2Sb2 based on the density functional theory, together with the self-consistent phonon theory and the Boltzmann transport theory. We show that the modest anharmonicity of CaMg2Sb2 renders the three-phonon processes dominant, and the temperature dependence of κL approximately follows the T−1 relationship. In contrast, the strong quartic anharmonicity of MgMg2Sb2 leads to the ultralow κL and weak temperature dependence, in agreement with the experimental observations. A comprehensive analysis reveals that the κLs in the two compounds are mainly carried by the acoustic phonons associated with the Sb atoms, and the different behaviors of κL result from the chemical bond changes around Sb atoms, which bond more covalently with the Mg atoms than the Ca atoms and thus lead to high-order anharmonicity in MgMg2Sb2. These results give us insights into the understanding of the anomalous thermal transport in thermoelectric materials.

Broadband emitting Fe3+‐doped double perovskite‐type antimonates phosphors for NIR spectroscopy applications

AbstractNear‐infrared (NIR) broadband emitting phosphors regarded as ideal miniaturized NIR light sources, have recently received considerable attention. Nevertheless, the lack of appropriate substitutes for poisonous Cr3+ still poses a significant obstacle. Here, by selecting double perovskite‐type antimonates compound Ca2LuSbO6 (CLSO) and Ca2YSbO6 (CYSO) as the hosts, the broadband NIR‐emitting CLSO: 0.008Fe3+ and CYSO: 0.01Fe3+ phosphors are firstly reported. The above materials exhibit a rare long‐wavelength NIR emission band peaking at 927 and 938 nm, respectively. Accordingly, their full widths at half maximum are 128 and 135 nm, respectively. Moreover, the mechanism of their concentration quenching and thermal quenching effect are discussed. The IQEs of CLSO: 0.008Fe3+ is measured to be 69%, which is superior to many available Fe‐activated phosphors. Integrating the bond valence theory analysis with electron paramagnetic resonance measurement, Fe3+ only substitutes the lattice site of the Sb atom to generate a [FeO6] octahedron accompanying lattice distortion. Significantly, the as‐fabricated phosphor‐converted light emitting diodes device shows substantial applications in night vision and NIR spectroscopy detection. This work contributes to novel insights into the photoluminescence and site occupancy of Fe3+, thereby paving a new avenue for exploring next‐generation environmentally‐friendly and nontoxic NIR light‐emitting materials.

Thermal stability of In1-xGaxSb nanofoams

This article presents the thermal stability of In1-xGaxSb films with different In/Ga relative concentration and different levels of porosity, subjected to thermal annealing. In1-xGaxSb films deposited by magnetron sputtering were transformed into nanofoams by irradiation with 16 MeV Au+7 and the structural and compositional characterization of the material, before and after annealing in vacuum, at 200 °C or 300 °C for 1 h, was performed by grazing incidence x-ray diffraction analysis (GIXRD) and Rutherford backscattering spectrometry (RBS), respectively. In1-xGaxSb films and nanofoams are remarkably stable under high temperatures, showing no significant redistribution or loss of Ga, In and Sb atoms. Thermal annealing induced the incorporation of C and O, slightly more pronounced in the nanofoams due to the increased surface to volume ratio. Thermal annealing induced an increase in crystallite size for all films and nanofoams, and the material remained porous after annealing.

Dual Optimization of Interface Defects and Hole Transporting Layers with Tetrathiafulvalene Derivatives for Antimony Selenosulfide Solar Cells

Modification of hole transporting layers (HTLs) to reduce the interface defects is an important strategy to promote hole extraction and suppress charge recombination for Sb2(S,Se)3 (antimony selenosulfide) solar cells. Herein, a simple doping method with the tetrathiafulvalene derivatives (MeS‐TTF and Cyano‐TTF) is developed to reduce the dangling bonding defects on the surface of Sb2(S,Se)3 films and improve the photovoltaic performances of Sb2(S,Se)3 solar cells. The studies show that the tetrathiafulvalene derivatives can effectively passivate the ionic defects through the chelation mechanism with Sb atoms and suppress the nonradiative recombination. Meanwhile, the MeS‐TTF dopant can also enhance the hole mobility of HTLs and improve the hole transport. The results indicate that the MeS‐TTF can achieve the dual function of interface defect passivation and hole mobility improvement. As a result of the dual‐function dopant, a significant increase in efficiency from 7.73% to 8.45% can be obtained. The outcomes of this study highlight that this dual‐function doping strategy is an effective method to passivate the interface defects and enhance the hole mobility for the excellent photovoltaic performances of Sb2(S,Se)3 solar cells.

X-Ray Diffraction and Raman Spectroscopy Analyses of GaSb-Enriched Si Surface Formed by Applying Diffusion Doping Technique

The paper studies the properties of surface and near-surface region of a single crystalline silicon sample doped with atoms of Ga (AIII) and Sb (BV). n-type single-crystal Si wafers were chosen as substrates, and samples were size of 8×10×0.5 mm3. For diffusion into silicon, Ga and Sb impurities were used with a purity of 99.999 and 99.998, respectively. The authors propose that a new heterostructure might form in the near-surface region of silicon that could be engineered by applying a relatively cheap diffusion method. The experimental and analysis results show that the composition and absorption spectrum of silicon start manifest certain changes, and can be used in the future as a functional material for solar cells. The result showed that randomly located islands with an average diameter of 1–15 µm are formed on the substrate surface. X-ray diffraction analysis was carried out using a Rigaku diffractometer to study the crystallographic parameters of islands formed with the participation of Ga and Sb atoms on the silicon surface. The energy spectrum was studied on Nanofinder High End Raman spectrometer (LOTIS TII) in order to determine the presence of complexes of Ga and Sb atoms within islands formed as a result of diffusion. The optical emission spectra in the new structure were studied using a Lambda 950 spectrophotometer. The measurements were carried out at room temperature, i.e., at 300°K. Having studied the results of X-ray analysis, Raman spectroscopy, and optical spectroscopy, the authors have revealed that Ga and Sb atoms form new Si0.44(GaSb)0.56 and Si0.75(GaSb)0.25-type binary compounds on Si surface.

A Surface Study of Si Doped Simultaneously with Ga and Sb

The paper is concerned with the study of silicon samples doped with gallium (Ga) and antimony (Sb) atoms. In particular, the elemental analysis, SEM imaging, and Raman spectrometry analysis of the samples are presented. The elemental analysis revealed that the relative concentrations of Ga (0.4) were almost equal to those of Sb (0.39) and both were formed on the surface of Si. The SEM imaging showed that GaSb microsized islands (diameter of 1 to 15 microns) and a density of ~106 cm-2 were being formed on the surface of Si in the course of the process of diffusion doping. Raman spectral analysis showed that a semiconductor with GaSb molecules self-assemble on Si surface.

Crystal structure and magnetic properties of Gd8Mn3Sb19

In this study, a novel magnetic semimetal compound, Gd8Mn3Sb19, was synthesized successfully via high-temperature solid-state reaction. The crystal structure of Gd8Mn3Sb19 was determined using both single crystal and powder X-ray diffraction techniques, revealing a non-centrosymmetric orthorhombic space group, Pmn21 (No. 31). The Sb atoms in Gd8Mn3Sb19 form five-atom-wide Sb57− ribbons, narrower three-atom-wide Sb35− ribbons, and single Sb3− anions. On the other hand, both Gd3+ and Mn2+ ions form the distorted Gd3 and Mn3 triangular lattices, respectively. The magnetic measurements suggest the complex magnetic interactions contributed by both Gd3+ and Mn2+ ions. A sharp peak observed in the magnetic susceptibility plot at approximately 25 K corresponds to the antiferromagnetic-type transition in Gd8Mn3Sb19. Furthermore, the magnetic measurements along different directions indicate the strong magnetic anisotropy present in Gd8Mn3Sb19, which is likely due to the complex magnetic interactions arising from the existence of Gd and Mn ions. Finally, the electrical resistivity measurements of Gd8Mn3Sb19 indicate semimetallic behavior with a positive magnetoresistance.

Multilayer Epitaxial Heterostructures with Multi-Component III-V:Fe Magnetic Semiconductors.

Three-layer structures based on various multi-component films of III-V semiconductors heavily doped with Fe were grown using the pulsed laser sputtering of InSb, GaSb, InAs, GaAs and Fe solid targets. The structures comprising these InAsSb:Fe, InGaSb:Fe and InSb:Fe layers with Fe concentrations up to 24 at. % and separated by GaAs spacers were deposited on (001) i-GaAs substrates at 200 °C. Transmission electron microscopy showed that the structures have a rather high crystalline quality and do not contain secondary-phase inclusions. X-ray photoelectron spectroscopy investigations revealed a significant diffusion of Ga atoms from the GaAs regions into the InAsSb:Fe layers, which has led to the formation of an InGaAsSb:Fe compound with a Ga content up to 20 at. %. It has been found that the ferromagnetic properties of the InAsSb:Fe magnetic semiconductor improve with an increasing Sb:As ratio. It has been concluded that the indirect ferromagnetic exchange interaction between Fe atoms occurs predominantly via Sb atoms.

Synthesis, Structure, Reactivity, and Intramolecular Donor-Acceptor Interactions in a Phosphinoferrocene Stibine and Its Corresponding Phosphine Chalcogenides and Stiboranes.

Ferrocene-based phosphines equipped with additional functional groups are versatile ligands for coordination chemistry and catalysis. This contribution describes a new compound of this type, combining phosphine and stibine groups at the ferrocene backbone, viz. 1-(diphenylphosphino)-1'-(diphenylstibino)ferrocene (1). Phosphinostibine 1 and the corresponding P-chalcogenide derivatives Ph2P(E)fcSbPh2 (1E, fc = ferrocene-1,1'-diyl, E = O, S, Se) were synthesized and further converted to the corresponding stiboranes Ph2P(E)fcSb(O2C6Cl4)Ph2 (6 and 6E) by oxidation with o-chloranil. All compounds were characterized by spectroscopic methods, X-ray diffraction analysis, cyclic voltammetry, and theoretical methods. Both NMR spectroscopy and DFT calculations confirmed the presence of P → Sb and P═O → Sb donor-acceptor interactions in 6 and 6O, triggered by the oxidation of the stibine moiety into Lewis acidic stiborane. The corresponding interactions in 6S and 6Se were of the same type but significantly weaker. A coordination study with AuCl as the model metal fragment revealed that the phosphine group acts as the "primary" coordination site, in line with its higher basicity. The obtained Au(I) complexes were applied as catalysts in the Au-catalyzed cyclization of N-propargylbenzamide and in the oxidative [2 + 2 + 1] cyclization of ethynylbenzene with acetonitrile and pyridine N-oxides. The catalytic results showed that the stibine complexes had worse catalytic performance than their phosphine counterparts, most likely due to the formation of weaker coordination bonds and hence poorer stabilization of the active metal species. Nevertheless, the stibine moiety could be used to fine-tune the properties of the ligated metal center by changing the oxidation state or substituents at the "remote" Sb atom.

Synthesis, crystal and electronic structure of the Zintl phase Ba16Sb11. A case study uncovering greater structural complexity via monoclinic distortion of the tetragonal Ca16Sb11 structure type.

AbstractThe binary Zintl phase Ba16Sb11 has been synthesized and structurally characterized. Detailed studies via single‐crystal X‐ray diffraction methods indicate that although Ba16Sb11 appears to crystallize in the tetragonal Ca16Sb11 structure type (space group P 21m with a=13.5647(9) Å, c=12.4124(12) Å, Z=2, R1=3.14 %; wR2=4.77 %), there exists an extensive structural disorder. Some Ba16Sb11 crystals were found to be monoclinic and the structure was solved and refined in space group P21 (a=18.3929(12) Å, b=13.5233(8) Å, c=18.3978(12) Å, β=94.6600(10)°; Z=4, R1=5.84 %; wR2=9.58 %). The latter corresponds to a 2‐fold superstructure of the tetragonal one, which provides a disorder‐free structural model. In both descriptions, the disordered tetragonal and the ordered monoclinic superstructure, the basic building units that make up the structure of this Ba‐rich compound are pairs of face‐shared square antiprisms of Ba atoms, which are centered by Sb atoms. The dimerized antiprisms are linked into parallel chains via square prisms of Ba atoms, which are also centered by Sb atoms. The Zintl concept can be applied in a straightforward manner and as result, the structure of Ba32Sb22 (=2×Ba16Sb11) can be rationalized as (Ba2+)32(Sb3−)20[Sb2]4−. The partitioning of the valence electrons is done taking into an account the homoatomic Sb−Sb contacts (d=3.01 Å), which can be clearly distinguished in the lower symmetry space group. Electronic structure calculations of Ba16Sb11 are in good accordance with the Zintl rationalization and predict a semiconductor with a band gap of 0.77 eV.

Boosting photocatalytic hydrogen peroxide production by regulating electronic configuration of single Sb atoms via carbon vacancies in carbon nitrides

Single-atom catalysts supported on semiconductors can serve as active sites for efficient oxygen reduction to hydrogen peroxide (H2O2). However, researchers have long been puzzled by the lack of guidance on optimizing the performance of single-atom photocatalysts. In this study, we propose a versatile strategy that utilizes carbon vacancies to regulate the electronic configuration of antimony (Sb) atoms on carbon nitrides (C3N4). This strategy has been found to significantly enhance the photocatalytic production of H2O2. The H2O2 evolution rate of Sb single-atom on carbon vacancy-rich C3N4 (designated as Sb1/Cv-C3N4) is 5.369 mmol g-1h−1, which is 10.9 times higher than C3N4 alone. By combining experimental characterizations and density functional theory simulations, we reveal the strong electronic interaction between Sb atoms and carbon vacancy-rich C3N4. This interaction is capable for maintaining the electron-rich state of Sb atoms, facilitating efficient electron transfer to pauling-type absorbed oxygen, and ultimately enhancing the formation of *OOH intermediates. This innovative defect-engineering approach can manipulate the electronic configuration of single-atom catalysts, providing a new avenue to boost the photocatalytic oxygen reduction reaction towards H2O2 production.

Seven-Coordinated High-Pressure Phase of CrSb2 and Experimental Equation of State of MSb2 (M = Cr, Fe, Ru, Os).

The MSb2 compounds with M = Cr, Fe, Ru, and Os have been investigated under high pressures by synchrotron powder X-ray diffraction. All compounds, except CrSb2, were found to retain the marcasite structure up to the highest pressures (more than 50 GPa). In contrast, we found that CrSb2 has a structural phase transition around 10 GPa to a metastable, MoP2-type structure with Cr coordinated to seven Sb atoms. In addition, we compared ambient temperature compression with laser-heating experiments and found that laser-heating at pressures below and above this phase transition results in the known CuAl2-type structure. Density functional theory calculations show that this tetragonal structure is the most stable in the whole pressure interval. However, a crossing of the marcasite's and MoP2-like structure's enthalpies occurs between 5 and 7.5 GPa, which is in good agreement with the experimental data. The phase transition to the MoP2-type structure observed in this work opens up for discovering other compounds with this new transition pathway from the marcasite structure.

DFT study of the formation of the Sb-Ag(1 1 1) (√3×√3) – R30° surface alloy

According to performed DFT calculations, the (√3×√3) – R30° structure, in which Sb atoms occupy hcp sites on Ag(111), is more energetically favorable than the related substitutional SbAg2 surface alloy. The difference in energies is significant, 0.66 eV per unit cell, and can be attributed to a larger size of Sb atoms compared to Ag. The obtained results of modeling the substitutional process explain the formation of adsorbed Sb layer on the Ag(111) surface by means of Sb deposition instead of the formation of the substitutional surface alloy. In turn, Ag deposition onto the alloy surface will cause a floating up (segregation to the surface) of Sb atoms thus restoring the alloy surface, which may serve as a surfactant in the process of the growth of Ag crystal.

New Complexes of Antimony(III) with Tridentate O,E,O-Ligands (E = O, S, Se, Te, NH, NMe) Derived from N-Methyldiethanolamine.

We synthesized a series of new antimony(III) compounds by reaction of Sb(OEt)3 with organic ligands of the type E(CH2-CH2-OH)2, with E = NH, NMe, O, S, Se, and Te. The synthesized compounds have the general composition [E(CH2-CH2-O)2]Sb(OEt). For comparison, the compound (O-CH2-CH2-S)Sb(OEt) was prepared. All compounds are characterized using NMR, IR, and Raman spectroscopy. The molecular structures of the products reveal the formation of chelate complexes, wherein the ligand molecules coordinate as tridentate O,E,O-ligands to the antimony atom. Dimer formation in the solid state allows the antimony atoms to reach pentacoordination. Quantum chemical calculations including topological analysis of electron density reveal that there are polar shared bonds between antimony and the oxygen atoms bound to antimony. The interactions between the donor atom E and the Sb atom and the interactions in the dimers can be characterized as Van der Waals interactions. The reactivity of [MeN(CH2-CH2-O)2]Sb(OEt) was investigated as an example. For this purpose, the compound reacted with a range of organic compounds such as carboxylic acids and carboxylic anhydrides and small molecules like CO2 and NH3. This study establishes a new and easy accessible class of antimony(III) compounds, provides new insights into the chemistry of antimony compounds and opens up new opportunities for further research in this field.

Yb Substitution and Ultralow Thermal Conductivity of the Ca3–xYbxAlSb3 (0 ≤ x ≤ 0.81(1)) System

A series of Yb-substituted Zintl phases in the Ca3-xYbxAlSb3 (0 ≤ x ≤ 0.81(1)) system has been synthesized by initial arc melting and post-heat treatment, and their isotypic crystal structures were characterized by both powder and single crystal X-ray diffraction analysis. All four title compounds adopted the Ca3AlAs3-type structure (space group Pnma, Pearson code oP28, Z = 4). The overall structure can be described as a combination of the 1-dimensional (1D) infinite chain of ∞1[Al(Sb2Sb2/2)] formed by two vertices sharing [AlSb4] tetrahedral moieties and three Ca2+/Yb2+ mixed sites located in between these 1D chains. The charge balance and the resultant independency of the 1D chains in the title system were explained by the Zintl-Klemm formalism [Ca2+/Yb2+]3[(4b-Al1-)(1b-Sb2-)2(2b-Sb1-)2/2]. A series of DFT calculations proved that (1) the band overlap between the d-orbital states from two types of cations and the p-orbital states from Sb at the high symmetry Γ point implied a heavily doped degenerate semiconducting behavior of the quaternary Ca2YbAlSb3 model and (2) the site preference of Yb for the M1 site was due to the electronic-factor criterion based on the Q values of each atomic site. The electron localization function calculations also proved that the two different shapes of lone pairs of the Sb atoms─the "umbrella-shape" and the "C-shape"─are determined by local geometry and the coordination environment on the anionic frameworks. Thermoelectric measurements of the quaternary title compound Ca2.19(1)Yb0.81AlSb3 showed an approximately two times larger ZT value than that of ternary Ca3AlSb3 at 623 K due to increased electrical conductivity and ultralow thermal conductivity originated from Yb substitution for Ca.

Nitrogen-coordinated antimony atom anchored on carbon matrix as efficient active sites to enhance sodium/potassium ion storage

Carbon-based anode materials have become a research hotspot for alkali metal ion batteries. Crucially, the electrochemical performance of carbon materials must be improved by appropriate means such as micro-nano structure design and atomic doping. Herein, antimony doped hard carbon materials are prepared by anchoring Sb atoms on nitrogen-doped carbon (SbNC). The coordination of non-metal atoms can better disperse Sb atoms on the carbon matrix, and the synergistic effect between Sb atoms, coordinated non-metal atoms, and hard carbon matrix endows SbNC anode with good electrochemical performance. When used in sodium-ion half-cells, the SbNC anode showed high rate capacity of 109 mAh g−1 at 20 A g−1 and good cycling performance (254 mAh g−1 at 1 A g−1 after 2000 cycles). In addition, when used in potassium-ion half-cells, the SbNC anode exhibited initial charge capacity of 382 mAh g−1 at 0.1 A g−1 and rate capacity of 152 mAh g−1 at 5 A g−1. This research shows that compared with ordinary nitrogen doping, Sb-N coordination active sites on carbon matrix can provide much more adsorption capacity, improve ion filling and diffusion properties as well as enhance the kinetics of electrochemical reaction for the sodium/potassium storage.

Synthesis and Thermoelectric Properties of La-doped n-type Mg3SbBi Materials

Mg3Sb2-based materials are very promising for thermoelectric applications at low temperatures, and are strong candidates to replace n-type Bi2Te3 for cooling and power generation. Substituting Sb atoms with chalcogen elements (S, Se, Te) is a typical method of n-type doping, while doping the Mg site with Group 3 elements (Y, Sc) and Lanthanides has also been studied. Unique advantages have been recently reported. In this study, a La-containing compound, LaSb, was used to fabricate n-type Mg3SbBi. The thermoelectric properties of polycrystalline Mg3LaxSbBi (0 ≤ <i>x</i> ≤ 0.02) were investigated after synthesis by sequential processes of arc melting, ball milling, and spark plasma sintering. Undoped Mg3SbBi is p-type with poor thermoelectric performance, and switched to n-type with La doping. The electron concentration of Mg3LaxSbBi increased linearly with La content <i>x</i>, reaching up to 9.4 × 10<sup>19</sup> cm<sup>-3</sup> at <i>x</i> = 0.02. The power factor and the figure of merit were also maximized in Mg3La0.02SbBi, reaching 1.8 mW m<sup>-1</sup>K<sup>-2</sup> (573 K) and 0.89 (623 K), respectively. The lattice thermal conductivity decreased with increasing La content above ~500 K, and the minimum value of 0.73 W m<sup>-1</sup>K<sup>-1</sup> was obtained in Mg3La0.02SbBi. This study shows that La doping using LaSb provides a reliable method for n-type doping of Mg3Sb2-based materials.