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Title: Synthesis, structure, and optoelectronic properties of II-IV-V 2 materials

Abstract

II-IV-V 2 materials offer the promise of enhanced functionality in optoelectronic devices due to their rich ternary chemistry. In this review, we consider the potential for new optoelectronic devices based on nitride, phosphide, and arsenide II-IV-V 2 materials. As ternary analogs to the III-V materials, these compounds share many of the attractive features that have made the III-Vs the basis of modern optoelectronic devices (e.g. high mobility, strong optical absorption). Control of cation order parameter in the II-IV-V 2 materials can produce significant changes in optoelectronic properties at fixed chemical composition, including decoupling band gap from lattice parameter. Recent progress has begun to resolve outstanding questions concerning the structure, dopability, and optical properties of the II-IV-V 2 materials. Furthermore, remaining research challenges include growth optimization and integration into heterostructures and devices.

Authors:
 [1];  [1];  [1];  [1]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States); Colorado School of Mines, Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office (EE-4S); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1364163
Report Number(s):
NREL/JA-5J00-67711
Journal ID: ISSN 2050-7488; JMCAET
Grant/Contract Number:
AC36-08GO28308
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Volume: 5; Journal Issue: 23; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; optoelectronic devices; ternary chemistry; nitride; phosphide; arsenide; structure; dopability; optical properties

Citation Formats

Martinez, Aaron D., Fioretti, Angela N., Toberer, Eric S., and Tamboli, Adele C. Synthesis, structure, and optoelectronic properties of II-IV-V2 materials. United States: N. p., 2017. Web. doi:10.1039/C7TA00406K.
Martinez, Aaron D., Fioretti, Angela N., Toberer, Eric S., & Tamboli, Adele C. Synthesis, structure, and optoelectronic properties of II-IV-V2 materials. United States. doi:10.1039/C7TA00406K.
Martinez, Aaron D., Fioretti, Angela N., Toberer, Eric S., and Tamboli, Adele C. Tue . "Synthesis, structure, and optoelectronic properties of II-IV-V2 materials". United States. doi:10.1039/C7TA00406K. https://www.osti.gov/servlets/purl/1364163.
@article{osti_1364163,
title = {Synthesis, structure, and optoelectronic properties of II-IV-V2 materials},
author = {Martinez, Aaron D. and Fioretti, Angela N. and Toberer, Eric S. and Tamboli, Adele C.},
abstractNote = {II-IV-V2 materials offer the promise of enhanced functionality in optoelectronic devices due to their rich ternary chemistry. In this review, we consider the potential for new optoelectronic devices based on nitride, phosphide, and arsenide II-IV-V2 materials. As ternary analogs to the III-V materials, these compounds share many of the attractive features that have made the III-Vs the basis of modern optoelectronic devices (e.g. high mobility, strong optical absorption). Control of cation order parameter in the II-IV-V2 materials can produce significant changes in optoelectronic properties at fixed chemical composition, including decoupling band gap from lattice parameter. Recent progress has begun to resolve outstanding questions concerning the structure, dopability, and optical properties of the II-IV-V2 materials. Furthermore, remaining research challenges include growth optimization and integration into heterostructures and devices.},
doi = {10.1039/C7TA00406K},
journal = {Journal of Materials Chemistry. A},
number = 23,
volume = 5,
place = {United States},
year = {Tue Mar 07 00:00:00 EST 2017},
month = {Tue Mar 07 00:00:00 EST 2017}
}

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  • The hydrothermal reaction of Cs[sub 4]V[sub 2]O[sub 7], V, H[sub 3]PO[sub 4], H[sub 2]O, and Bu[sub 4]NBr in the molar ratio 4.5:1:41:3150:1 at 200[degrees]C for 48 hr yielded the red-brown cesium vanadium phosphate Cs[(V[sub 2]O[sub 3])(HPO[sub 4])[sub 2](H[sub 2]O)], a mixed-valence V(IV, V) species. The structure contains corner-sharing vanadium octahedra and phosphorus tetrahedra with unusual 1-D (-V[sup IV]-O-V[sup v]-O-)[infinity] chains formed from VO[sub 6] octahedra sharing opposite corners. These chains are connected through tridentate bridging (HPO[sub 4])[sup 2[minus]] units to produce a three-dimensional network. The Cs[sup +] cations occupy large channels formed from six vanadium octahedra and six phosphorus tetrahedra.more » At room temperature the material is paramagnetic with one unpaired spin per (-V[sup IV]-O-V[sup v]-O-) unit while complicated anti-ferromagentic ordering is observed below ca. 6 K. Crystal data: monoclinic, P2[sub 1]/n with a = 7.22(1), b = 18.56(1), c = 8.195(6) [angstrom], [beta] = 114.01(6)[degrees], Z = 4, d[sub calc] = 3.233 g cm[sup [minus]3]; structure solution and refinement based on 1088 reflections converged at R = 0.028.« less
  • The [M{sub x}{sup II}M{sub 2.5-x}{sup III}(H{sub 2}O){sub 2}(HP{sup III}O{sub 3}){sub y}(P{sup V}O{sub 4}){sub 2-y}F; M=Fe (1), x=2.08, y=1.58; M=Co (2), x=2.5, y=2; Ni (3), x=2.5, y=2] compounds have been synthesized using mild hydrothermal conditions at 170 deg. C during five days. Single-crystals of (1) and (2), and polycrystalline sample of (3) were obtained. These isostructural compounds crystallize in the orthorhombic system, space group Aba2, with a=9.9598(2), b=18.8149(4) and c=8.5751(2) A for (1), a=9.9142(7), b=18.570(1) and c=8.4920(5) A for (2) and a=9.8038(2), b=18.2453(2) and c=8.4106(1) A for (3), with Z=8 in the three phases. An X-ray diffraction study reveals that themore » crystal structure is composed of a three-dimensional skeleton formed by [MO{sub 5}F] and [MO{sub 4}F{sub 2}] (M=Fe, Co and Ni) octahedra and [HPO{sub 3}] tetrahedra, partially substituted by [PO{sub 4}] tetrahedra in phase (1). The IR spectra show the vibrational modes of the water molecules and those of the (HPO{sub 3}){sup 2-} tetrahedral oxoanions. The thermal study indicates that the limit of thermal stability of these phases is 195 deg. C for (1) and 315 deg. C for (2) and (3). The electronic absorption spectroscopy shows the characteristic bands of the Fe(II), Co(II) and Ni(II) high-spin cations in slightly distorted octahedral geometry. Magnetic measurements indicate the existence of global antiferromagnetic interactions between the metallic centers with a ferromagnetic transition in the three compounds at 28, 14 and 21 K for (1), (2) and (3), respectively. Compound (1) exhibits a hysteresis loop with remnant magnetization and coercive field values of 0.72 emu/mol and 880 Oe, respectively. - Abstract: Polyhedral view of the crystal structure of the [M{sub x}{sup II}M{sub 2.5-x}{sup III}(H{sub 2}O){sub 2}(HP{sup III}O{sub 3}){sub y}(P{sup IV}O{sub 4}){sub 2-y}F; M=Fe, x=2.08, y=1.58; M=Co, Ni, x=2.5, y=2] compounds showing the sheets along the [001] direction.« less
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