arXiv subjects

Danrui Ni

Publications and source records attributed to Danrui Ni.

26 records · Page 2Linked to original sources

arXiv2023

Electron Doping of a Double Perovskite Flat-band System

Electronic structure calculations indicate that the Sr2FeSbO6 double perovskite has a flat-band set just above the Fermi level that includes contributions from ordinary sub-bands with weak kinetic electron hopping plus a flat sub-band that can be attributed to the lattice geometry and orbital interference. To place the Fermi energy in that flat band, electron doped samples with formulas Sr2-xLaxFeSbO6 (0 < x < 0.3) were synthesized and their magnetism and ambient temperature crystal structures determined by high-resolution synchrotron X-ray powder diffraction. All materials appear to display an antiferromagnetic-like maximum in the magnetic susceptibility, but the dominant spin coupling evolves from antiferromagnetic to ferromagnetic on electron doping. Which of the three sub-bands or combinations is responsible for the behavior has not been determined.

cond-mat.mtrl-sci↗

arXiv2022

A Layered Spin 1/2 polymorph of titanium triiodide

A previously unreported layered spin 1/2 triangular lattice polymorph of TiI3 is described, synthesized under 6 GPa of applied pressure at 900 C, but stable at atmospheric pressure. This air-sensitive material has a CdI2-type layered structure (P-3m1 (#164), a = 4.012 A and c = 6.641 A at 120 K, Z = 1 of Ti0.667I2) with an in-plane triangular lattice, related to that of TiI4 (Ti0.5I2). Although the TiI3 formula is consistent with expectations for a layered honeycomb lattice of spin 1/2 Ti(III), there appears to be disorder in the crystal structure. Magnetic susceptibility and heat capacity measurements suggest that the material undergoes several low temperature phase transitions.

cond-mat.mtrl-sci↗

arXiv2022

The honeycomb and hyperhoneycomb polymorphs of IrI$_3$

The synthesis of IrI$_3$ at high pressure in its layered honeycomb polymorph is reported. Its crystal structure is refined by single crystal X-ray diffraction. Faults in the honeycomb layer stacking are observed by single crystal diffraction, synchrotron powder diffraction, and transmission electron microscopy. A previously unreported hyperhoneycomb polymorph of IrI$_3$ ($β$-IrI$_3$), is also described. Its structure in space group Fddd is determined by single crystal XRD. Both materials are highly-resistive diamagnetic semiconductors, consistent with a low spin d$^6$ configuration for Ir(III). The two- and three-dimensional Ir arrays in these polymorphs of IrI$_3$ are analogous to those found in the $α$- and $β$- polymorphs of Li$_2$IrO$_3$, although the Ir electron configurations are different.

cond-mat.mtrl-sci↗

arXiv2021

Magnetic-cations doped into a Double Perovskite Semiconductor

We report two solid solutions based on magnetic ion doping of the double perovskite oxide Sr2GaSbO6: Sr2Ga1-xCrxSbO6 (0.1 < x < 0.4) and Sr2Ga1-xFexSbO6 (0.1 < x < 0.4). All compositions crystallize in the same space group (I4/m) as their undoped parent phase Sr2GaSbO6, with the trivalent magnetic cations Cr3+ or Fe3+ partially substituting for non-magnetic Ga3+ in one of the B-cation sites. The Cr- and Fe-doped phases display dominant antiferromagnetic coupling among the dopant magnetic moments, and exhibit decreasing band gaps with increasing substitution level.

cond-mat.mtrl-sci↗

arXiv2021

Magnetic Frustration in a Zeolite

Zeolites are so well known in real world applications and after decades of scientific study that they hardly need any intro-duction: their importance in chemistry cannot be overemphasized. Here we add to the remarkable properties that they dis-play by reporting our discovery that the simplest zeolite, sodalite, when doped with Cr3+ in the \b{eta}-cage, is a frustrated magnet. Soft X-ray absorption spectroscopy and magnetic measurements reveal that the Cr present is Cr(III). Cr(III), with its isotropic 3d3 valence electron configuration, is well-known as the basis for many geometrically frustrated magnets, but it is especially surprising that a material like the Ca8Al12Cr2O29 zeolite is a frustrated magnet. This finding illustrates the value of exploring the properties of even well-known materials families.

cond-mat.mtrl-sci↗

arXiv2021

Ferromagnetic Double Perovskite Semiconductors with Tunable Properties

We successfully dope the magnetically silent double perovskite semiconductor Sr2GaSbO6 to induce ferromagnetism and tune its band gap, with Ga3+ partially substituted by the magnetic trivalent cation Mn3+, in a rigid cation ordering with Sb5+. Our new ferromagnetic semiconducting Sr2Ga1-xMnxSbO6 double perovskite, which crystallizes in tetragonal symmetry (space group I4/m) and has tunable ferromagnetic ordering temperature and band gap, suggests that magnetic ion doping of double perovskites is a productive avenue towards obtaining materials for application in next-generation oxide-based spintronic devices.

cond-mat.mtrl-sci↗

arXiv2021

Honeycomb-structure RuI3, a new quantum material related to α-RuCl3

The Kitaev model predicts that quantum spin liquids (QSLs) will form at low temperatures under certain special conditions, and materials hosting the QSL state are frequently sought. The layered honeycomb lattice material α-RuCl3 has emerged as a prime candidate for displaying the Kitaev QSL state. Here we describe a new polymorph of RuI3 with a layered honeycomb lattice structure, synthesized at moderately high pressures and stable under ambient conditions. Preliminary characterization reveals metallic, paramagnetic behavior, the absence of long-range magnetic order down to 0.35 K and an unusually large T-linear contribution to the heat capacity at low temperatures. We propose that this RuI3 phase, with a layered honeycomb lattice and strong spin-orbit coupling, provides a new route for the characterization of quantum materials.

cond-mat.mtrl-sci↗

arXiv2018

VI3 - a new layered ferromagnetic semiconductor

Two-dimensional (2D) materials are promising candidates for next-generation electronic devices. In this regime, insulating 2D ferromagnets, which remain rare, are of special importance due to their potential for enabling new device architectures. Here we report the discovery of ferromagnetism in a layered van der Waals semiconductor, VI3, which is based on honeycomb vanadium layers separated by an iodine-iodine van der Waals gap. It has a BiI3-type structure (R-3, No.148) at room temperature, and our experimental evidence suggests that it may undergo a subtle structural phase transition at 78 K. VI3 becomes ferromagnetic at 49 K, below which magneto-optical Kerr effect imaging clearly shows ferromagnetic domains, which can be manipulated by the applied external magnetic field. The optical band gap determined by reflectance measurements is 0.6 eV, and the material is highly resistive.

cond-mat.mtrl-sci↗