Pressure-induced band anticrossing in two adamantine ordered-vacancy compounds: CdGa2S4 and HgGa2S4

[EN] This paper reports a joint experimental and theoretical study of the electronic band structure of two ordered-vacancy compounds with defect-chalcopyrite structure: CdGa2S4 and HgGa2S4. High-pressure optical-absorption experiments (up to around 17 GPa) combined with first-principles electronic band-structure calculations provide compelling evidence of strong nonlinear pressure dependence of the bandgap in both compounds. The nonlinear pressure dependence is well accounted for by the band anticrossing model that was previously established mostly for selenides with defect chalcopyrite structure. Therefore, our results on two sulfides with defect chalcopyrite structure under compression provide definitive evidence that the nonlinear pressure dependence of the direct bandgap is a common feature of adamantine ordered-vacancy compounds and does not depend on the type of anion.This work was supported by the Spanish Ministry of Science, Innovation and Universities, the Spanish Research Agency (AEI), the European Fund for Regional Development (ERDF, FEDER) under grants PID2019-106383GB-C41/42 and RED2018-102612-T (MALTA Consolider-Team Network), and the Generalitat Valenciana under grant Prometeo/2018/123 (EFIMAT). This work also has received partial funding from the Horizon-2020 Spreading Excellence and Widening Participation research and innovation programme of the European Union under the grant #810652 (NanoMedTwin project). A.L. and D.E. would like to thank the Generalitat Valenciana for the Ph.D. fellowship GRISOLIAP/2019/025).Liang, A.; Shi, L.; Gallego-Parra, S.; Gomis, O.; Errandonea, D.; Tiginyanu, I.; Ursaki, V.... (2021). Pressure-induced band anticrossing in two adamantine ordered-vacancy compounds: CdGa2S4 and HgGa2S4. Journal of Alloys and Compounds. 886:1-8. https://doi.org/10.1016/j.jallcom.2021.1612261888

Structural and elastic properties of defect chalcopyrite HgGa2S4 under high pressure

In this work, we focus on the study of the structural and elastic properties of mercury digallium sulfide (HgGa2S4) at high pressures. This compound belongs to the family of AB(2)X(4) ordered-vacancy compounds and exhibits a tetragonal defect chalcopyrite structure. X-ray diffraction measurements at room temperature have been performed under compression up to 15.1 GPa in a diamond anvil cell. Our measurements have been complemented and compared with ab initio total energy calculations. The axial compressibility and the equation of state of the low-pressure phase of HgGa2S4 have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The pressure dependence of the theoretical cation-anion and vacancy-anion distances and compressibilities in HgGa2S4 are reported and discussed in comparison to other related ordered-vacancy compounds. Finally, the pressure dependence of the theoretical elastic constants and elastic moduli of HgGa2S4 has been studied. Our calculations indicate that the low-pressure phase of HgGa2S4 becomes mechanically unstable above 13.8 GPa. (C) 2013 Elsevier B. V. All rights reserved.This study was supported by the Spanish government MEC under Grants No: MAT2010-21270-C04-01/03/04 and CTQ2009-14596-C02-01, by the Comunidad de Madrid and European Social Fund (S2009/PPQ-1551 4161893), by MALTA Consolider Ingenio 2010 Project (CSD2007-00045), by Generalitat Valenciana (GVA-ACOMP-2013-1012), and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). E.P-G., A. M., and P.R-H. acknowledge computing time provided by Red Espa ola de Supercomputacion (RES) and MALTA-Cluster. J.A.S. acknowledges Juan de la Cierva fellowship program for financial support.Gomis Hilario, O.; Santamaría-Pérez, D.; Vilaplana Cerda, RI.; Luna Molina, R.; Sans, JA.; Manjón Herrera, FJ.; Errandonea, D.... (2014). Structural and elastic properties of defect chalcopyrite HgGa2S4 under high pressure. Journal of Alloys and Compounds. 583:70-78. https://doi.org/10.1016/j.jallcom.2013.08.123S707858

Optical Properties Of Zno Nanowire Arrays Electrodeposited On N- And P-Type Si(1 1 1): Effects Of Thermal Annealing

Electrodeposition is a low temperature and low cost growth method of high quality nanostructured active materials for optoelectronic devices. We report the electrochemical preparation of ZnO nanorod/nanowire arrays on n-Si(1 1 1) and p-Si(1 1 1). The effects of thermal annealing and type of substrates on the optical properties of ZnO nanowires electroplated on silicon (1 1 1) substrate are reported. We fabricated ZnO nanowires/p-Si structure that exhibits a strong UV photoluminescence emission and a negligible visible emission. This UV photoluminescence emission proves to be strongly influenced by the thermal annealing at 150-800 °C. Photo-detectors have been fabricated based on the ZnO nanowires/p-Si heterojunction. © 2011 Elsevier B.V. All rights reserved

Towards uniform electrochemical porosification of bulk HVPE-grown GaN

In this paper, we report on results of a systematic study of porous morphologies obtained using anodization of HVPE-grown crystalline GaN wafers in HNO3, HCl, and NaCl solutions. The anodization-induced nanostructuring is found to proceed in different ways on N-and Ga-faces of polar GaN substrates. Complex pyramidal structures are disclosed and shown to be composed of regions with the degree of porosity modulated along the pyramid surface. Depending on the electrolyte and applied anodization voltage, formation of arrays of pores or nanowires has been evidenced near the N-face of the wafer. By adjusting the anodization voltage, we demonstrate that both current-line oriented pores and crystallographic pores are generated. In contrast to this, porosification of the Ga-face proceeds from some imperfections on the surface and develops in depth up to 50 μm, producing porous matrices with pores oriented perpendicularly to the wafer surface, the thickness of the pore walls being controlled by the applied voltage. The observed peculiarities are explained by different values of the electrical conductivity of the material near the two wafer surfaces

Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure

Optical absorption measurements at high pressure have been performed in two phases of the ordered-vacancy compound (OVC) ZnGa2Se4: defect stannite (DS) and defect chalcopyrite (DC). The direct bandgap energy of both phases exhibits a non-linear pressure dependence with a blueshift up to 10 GPa and a redshift at higher pressures. We discuss the different behavior of both phases in these two pressure ranges in relation to the pressure-induced order-disorder processes taking place at cation sites. Measurements performed in both phases on downstroke after increasing pressure to 22 GPa show that the direct bandgap energy of the recovered samples at room pressure was 0.35 eV smaller than that of the original samples. These results evidence that different disordered phases are formed on decreasing pressure, depending on the cation disorder already present in the original samples. In particular, we attribute the recovered samples from the original DC and DS phases to disordered CuAu (DCA) and disordered zincblende (DZ) phases, respectively. The decrease of the direct bandgap energy and its pressure coefficient on increasing disorder in the four measured phases are explained. In summary, this combined experimental and theoretical work on two phases (DC and DS) of the same compound has allowed us to show that the optical properties of both phases show a similar behavior under compression because irreversible pressure-induced order-disorder processes occur in all adamantine OVCs irrespective of the initial crystalline structure