Magnetic susceptibility of multinary diamondlike semiconductors

Summary The magnetic susceptibility of some A^IB ₂ ^II C^IIIX ₄ ^VI (A^I=Cu, Ag; B^II=Zn, Cd; C^III=Ga, In; X^VI=Se, Te) diamondlike chalcogenides has been measured at RT. Coherently with the form of the relative A^IC^IIIX ₂ ^VI -B^IIX^VI phase diagrams, their magnetic susceptibility fulfils the sum rule typical of ideal solid solutions. Separate values of the diamagnetic and paramagnetic contributions to total magnetic susceptibility are reported and discussed according to a chemical-bond approach previously described. Paper presented at the ?V International Conference on Ternary and Multinary Compounds?, held in Cagliari, September 14–16, 1982.     

Thermal property of binary tetrahedral semiconductors

In this paper we present an expression relating the lattice thermal expansion coefficient α_L (10⁻⁶ K⁻¹) for the A^IIIB^V and A^IIB^VI semiconductors with the product of ionic charges (Z₁Z₂), melting temperature (T_m) and nearest neighbor distance d (Å). The lattice thermal expansion coefficient of these compounds exhibit a linear relationship when plotted on a log–log scale against the melting temperature (T_m), but fall on different straight lines according to the ionic charge product of the compounds. A good agreement has been found between the experimental and calculated values of the lattice thermal expansion coefficient for A^IIIB^V and A^IIB^VI semiconductors.     

Cohesive energy of zincblende (A<Superscript>III</Superscript>B<Superscript>V</Superscript> and A<Superscript>II</Superscript>B<Superscript>VI</Superscript>) structured solids

In this paper we present an expression relating the cohesive energy (E _coh in kcal/mol) of A^IIIB^V and A^IIB^VI semiconductors with the product of ionic charges (Z ₁ Z ₂) and nearest-neighbour distance d (Å). The cohesive energy values of these solids exhibit a linear relationship when plotted on a log-log scale against the nearest-neighbour distance d (Å), but fall on different straight lines according to the ionic charge product of the solids. A good agreement has been found between the experimental and calculated values of the cohesive energy of A^IIIB^V and A^IIB^VI semiconductors.     

Bond ionicity and susceptibility in aIbIIIc2VI compounds

The electronic susceptibilities, energy gaps and the bond ionicities of some A^IB^IIIC₂^VI chal-copyrite compounds have been calculated from their plasmon energy. The effect of delocalization of noble metal d-electrons has been taken into account while calculating these parameters in the case of the A^I-C^VI bond. A comparison is made between the present results and the results of previous calculations.     

Correlation between raman spectra and structural properties of Zn<Subscript>2 − 2<Emphasis Type="Italic">x</Emphasis></Subscript>Cu<Subscript>x</Subscript>In<Subscript>x</Subscript>Se<Subscript>2</Subscript> films

The Raman spectra of Zn_{2 ? 2x} Cu_xIn_xSe₂ (ZCIS) semiconductor films designed for use as optically active layers in thin-film solar cells have been investigated. The Raman spectra of ZCIS films are characterized by the presence of the dominant mode A ₁, which is observed in A^IB^IIIC ₂ ^VI compounds with chalcopyrite structure. The spectra of CuInSe₂ films (x = 1) obtained at low temperatures (T ≤ 400°C) contain and additional mode at 258 cm^?1, which is due to the presence of the impurity Cu_xSe phase. All modes observed in the spectra of ZCIS films with a Zn concentration ≤20 at % obtained under optimal conditions (520–540°C) correspond to the symmetry of vibrations in the chalcopyrite structure. The broadening and blue shift of the A ₁ mode occurring with an increase in the Zn concentration are indicative of degradation of the chalcopyrite crystal structure and the chalcopyrite → sphalerite phase transition at Zn concentrations exceeding 20 at %.     

Atomic chains and lattice vibration characteristics in A2 IIIB3 VI compounds with tetrahedral coordination of atoms

On the basis of the presence of atomic chains in A₂ ^IIIB₃ ^VI compounds having zincblende defect structure, a linear-chain model is used to calculate the lattice vibration frequencies. The agreement of the calculated and experimental frequencies is an indication of the applicability of the model and enables one to determine the motion of various atoms during the corresponding vibrations.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 83–88, April, 1977.     

High pressure behavior and structural properties of transition metal carbides

A pressure induced structural phase transition from NaCl-type (B₁) to CsCl-type (B₂) structure has been predicted in transition metal carbides, namely TiC, ZrC, NbC, HfC, and TaC by using an interionic potential theory with modified ionic charge (Z_m ), which includes Coulomb screening effect due to d-electron. The phase transition pressure (P_T ) relies on large volume discontinuity in pressure–volume relationship, and identifies the structural phase transition from B₁ phase to B₂ phase. The variation of second-order elastic constants with pressure follows a systematic trend identical to that observed in other compounds of NaCl-type structure. The Born criterion for stability is found to be valid in transition metal carbides.     

Tetragonal distortion for AIBIIICVI2 chalcopyrite compounds

Pauli-force constants and Simons-Bloch radii for the atoms of groups IB, III and VI are reported. The latter have been used to define a dimensionless quantity ΔX_ch which is found to be correlated in an analytical way with the observed tetragonal distortion δ of A^IB^IIIC^VI₂ type chalcopyrite compounds.     

On kinetic phenomena in semiconducting compounds of AIBIIIC2 VI type with chalcopyrite lattice

A four-ellipsoid model of the vertex of the valence band, proposed earlier for some semiconducting compounds of type A^IB^IIIC₂ ^VI, is examined. The anisotropy of the galvano- and thermomagnetic effects is studied under the assumption of an anisotropic relaxation time and the presence of one scattering mechanism.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 46–51, July, 1973.     

Intrinsic defects in ZnO and GaN crystals

The kinetics of defect formation in the system of a crystal with a nonmetal component in the activated gas phase has been investigated. The data obtained has made it possible to develop physicochemical methods of regulating the defect-formation processes depending on the adsorption—desorption—crystallization equilibrium on the surface of a crystal. A kinetic model of defect formation in the A^IIB^VI and A^IIIB^V compounds is proposed. Results of the kinetic analysis of the intrinsic defects in the ZnO and GaN compounds are presented. The photoluminescence spectra of GaN films annealed in a flow of nonmetal-component radicals (atoms) have been considered. This work was reported at the Vth International Scientific-Technical Conference on Quantum Electronics, November 22–25, 2004, Minsk, Belarus. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 6, pp. 760–765, November–December, 2005.     

The theory of infrared dispersion of light in crystals with chalcopyrite lattice

The low-frequency dielectric tensor is calculated for A^IIB^IVC ₂ ^V and A^IB^IIIC ₂ ^VI crystals in terms of the long-wave frequencies of lattice vibrations, corresponding to various orientations of the wave vector. The qualitative shape of the spectrum of mechanical polaritons is obtained. The coefficient of light reflection is calculated as a function of the frequency and direction of propagation for a CdGeP₂ crystal.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 39–43, June, 1978.     

Ternary compounds based on binary topological insulators as an efficient way for modifying the Dirac cone

The electronic structure of A^IVB^VI · A₂^VB₃^VI ternary compounds consisting of seven-layer atomic blocks separated by van der Waals gaps has been theoretically investigated. The YbBi(Sb)2Te₄ compounds have been considered, for which a similar atomic structure has been predicted. It has been shown that most compounds based on Group IV elements, as well as YbBi₂Te₄, are three-dimensional topological insulators. Calculations of the surface electronic structure of MBi₂Te₄, where M is a Group IV element or Yb, demonstrate the possibility of tuning the Dirac surface conduction state owing to the first element.     

Bond-stretching and bond-bending force constant of binary tetrahedral (AB and AB) semiconductors

In this Letter we present the two expressions relating the bond-stretching force constant (α in N/m) and bond-bending force constant (β in N/m) for the A^IIIB^V and A^IIB^VI semiconductors with the product of ionic charges (Z₁Z₂) and nearest neighbor distance d (Å). Interatomic force constants of these compounds exhibit a linear relationship when plotted on a log-log scale against the nearest neighbor distance d (Å), but fall on different straight lines according to the ionic charge product of the compounds. A fairly good agreement has been found between the observed and calculated values of the α and β for binary tetrahedral semiconductors.     

Energy band structure and modulation spectra of A2B4C25 semiconductors

The results of the energy band structure calculations of A²B⁴C₂⁵ compounds are reviewed, and the differences in the energy spectra passing from A³B⁵ semiconductors to their closest ternary analogs are described. The origin of the lowest conduction band minima of A²B⁴C₂⁵ compounds was determined from the slopes of the fundamental absorption edge and the pressure coefficients of the energy gap. The investigations of the valence band structure from electroreflectance (ER), thermoreflectance (TR) and wavelength modulated absorption (WMA) spectra are reviewed. In the higher energy region the ER and TR spectra of A²B⁴C₂⁵ compounds were found to be more complicated in comparison with those of their binary analogs. A model of an assignment of the structures in optical spectra of A²B⁴C₂⁵ compounds is discussed.     

Crystal structure and ferromagnetism of (n-C3H7)4N[CoFe(dto)3] (dto=C2O2S2)

Recently, we have discovered a new type of first order phase transition around 120 K for (n-C₃H₇)₄N[Fe^IIFe^III(dto)₃] (dto=C₂O₂S₂), where the charge transfer transition between Fe^II and Fe^III occurs reversibly. In order to elucidate the origin of this peculiar first order phase transition. Detailed information about the crystal structure is indispensable. We have synthesized the single crystal of (n-C₃H₇)₄N[Co^IIFe^III(dto)₃] whose crystal structure is isomorphous to that of (n-C₃H₇)₄N[Fe^IIFe^III(dto)₃], and determined its detailed crystal structure. Crystal data: space group P6₃, a=b=10.044(2) Å, c=15.960(6) Å, α=β=90°, γ=120°, Z=2 (C₁₈H₂₈NS₆O₆FeCo). In this complex, we found a ferromagnetic transition at T_c=3.5 K. Moreover, on the basis of the crystal data of (n-C₃H₇)₄N[Co^IIFe^III(dto)₃], we determined the crystal structure of (n-C₃H₇)₄N[Fe^IIFe^III(dto)₃] by simulation of powder X-ray diffraction results.     

Conditions of formation of stable and metastable structures in thin films of AIIBVI compounds on amorphous substrates

On the basis of extensive experimental results relating to actual A^IIB^VI compounds (excluding compounds with mercury) an analysis is made of the general laws of formation of stable and metastable modifications in thin films of these compounds. A connection is shown between the relation of the ionic and covalent components of the bond, the type of crystal structure and the excess of the corresponding component in films of A^IIB^VI compounds, which makes it possible to control the type of crystal structure in thin layers by precipitating them in conditions of deliberate disruption of the ratio of the components in the crystallization zone.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 11, pp. 85–91, November, 1972.     

Ab initio calculations of the electron structure of the compounds AgGaS2, CdGa2S4, InPS4

Crystalline structures of the compounds in the row AgGaS₂–CdGa₂S₄–InPS₄ originate from the sphalerite structure with the gradual growth of the deficiency of metallic atoms from defect-free Ag₄^IGa₄^IIIS₈ to □₂^IICd₂^IIGa₄^IIIS₈ and further to □₂^IIIIn₂^III□₂^VP₂^VS₈, where the symbol □ denotes a pseudovacancy. With the FEFF8 full multiple-scattering code, the local partial electron densities states of all atoms of all compounds investigated have been calculated. A comparison of the calculated electron densities with the experimental X-ray K- and L_2,3-spectra of emission and absorption of sulfur and phosphorus shows good correspondence between the form and energy positions of the fine structure elements. For the compounds investigated there is no significant influence of the defectiveness of the crystalline lattice on the electron density of states.     

The Growth of P-type TlGaSe2(1−x) S2x Single Crystals

TlGaSe_2(1–x) S_2x single crystals were grown by the modified Bridgman-Stockbarger method in our crystal growth laboratory. A^IIIB^III C₂ ^VI compounds are formed of elements from vertical groups of the periodic table (group III: Tl, Ga, In; group VI: Se, S, Te) and are classified into two types. The first type has a layer structure: TlGaSe₂, TlGaS₂ and TlInS₂. The second type has a chained structure: TlInSe₂, TlInTe₂ and TlGaTe₂. None of the grown crystals had cracks and voids on the surface. The freshly cleaved crystals had a mirror-like surface and there was no need for mechanical or chemical polishing treatments. By the hot probe technique, we have found that the crystals were of p-type. The ingots produced were single crystalline and the useful region of single crystal was 90% with steps of 10 K if changes were small, and with steps of 3 and 5 K if changes were large in the direct and indirect band gaps energies. The direct and indirect band gaps for TlGaSe_2(1–x)S_2x samples were calculated as a function of temperature.     

Study on the ferromagnetic state in iron mixed-valence complexes, A[FeIIFeIII(dto)3] (A = (n-CnH2n + 1)4N; dto = C2S2O2) by means of Mössbauer spectroscopy

We have investigated the ferromagnetic states for (n-C_nH_2n?+?1)₄N[Fe^IIFe^III(dto)₃] (n = 3–6; dto = C₂O₂S₂) by means of ⁵⁷Fe Mössbauer spectroscopy. The major component of the spin configuration in the ferromagnetic states for n = 3 and 4 is the low-temperature phase (LTP) with the Fe^III (S = 5/2) and Fe^II (S = 0) states. The high-temperature phase (HTP) of n = 4 remains by more than 20%, which is consistent with two ferromagnetic transitions (T_C = 7 & 13 K). Moreover, it was revealed that the Mössbauer spectra in the ferromagnetic states for n = 5 and 6 correspond to the HTP consisting of the Fe^II (S = 2) and Fe^III (S = 1/2) states.     

Relationship between the thermal expansion coefficient, plasmon energy, and bond length of ternary chalcopyrite semiconductors

A simple relation between the average bond length and plasmon energy, that is, d=15.30(?ω_p)^−2/3, has been proposed for A^IIB^IVC^V₂ and A^IB^IIIC^VI₂ chalcopyrite semiconductors. The average linear thermal expansion coefficient (α_L) of these semiconductors has been calculated using plasmon energy data. The linear expansion coefficients (α_a) and (α_c) of the lattice parameters a and c, respectively, have also been calculated. The calculated values of d, α_L, α_a and α_c have been compared with the experimental values and the values reported by different workers. A fairly good agreement has been obtained between them.