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At least 1,603 records · Page 89
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DOE OSTI2020

Materials Data on CuIO4 by Materials Project

CuO4I crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (1.87 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cu3+ and one I5+ atom. The O–I bond length is 2.32 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Cu3+ and two equivalent I5+ atoms. There are one shorter (1.91 Å) and one longer (2.76 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin orbit torque in ferromagnet/topological-quantum-material heterostructures

The main objective of this proposal was to investigate the spin-orbital driven phenomena in topological insulator (TI)/ferromagnet (FM) or transition metal (TM) heterostructures. In particularly, we tried to utilize the spin-momentum locking properties on the surface of TIs to achieve ideal spin-orbit torques (SOTs). In practice, we found that the surface properties have been greatly modified, resulting in much more complicated magneto-transport behaviors than what is expected in SOT-driven magnetotransport. Through systematic and extended investigations, we start to unravel that the nonlinear magnetotransport properties, which was, in the past, mainly attributed to SOT-driven phenomena, can be used to infer the modification of the electronic band structures of TIs and spin textures in FMs which are closely related with charge-spin interconversion phenomena. Regarding the band structures In TIs, we find under electrostatic perturbations imposed by deposition of nonmagnetic TMs, the quantum well states formed on the surface of TIs develop substantial Rashba spin-splitting, which is detected as a bilinear magnetoresistance (BMR). Under magnetic perturbations, the nonlinear planar Hall effect (NPHE) in the topological surface states is greatly enhanced, possibly reflecting the modified surface band structure due to time-reversal symmetry breaking. In a double HM/FM heterostructure where the magnetic anisotropy can be robustly tuned, we observed second-harmonic Hall voltage responses corresponding to domain wall structures with fixed chirality, stabilized by interfacial Dzyaloshinskii–Moriya interaction (DMI). In addition, in the linear transport regime, we utilized inverse-SHE-induced anomalous Hall effect in Pt to probe the exchange bias on the surface of a doped magnetic insulator Tm 3 Fe 5 O 12 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn(AuF4)2 by Materials Project

Zn(AuF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.94–2.00 Å. Zn2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zn–F bond distances ranging from 2.04–2.09 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Au3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BrN by Materials Project

BrN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BrN sheet oriented in the (0, 0, 1) direction. N1+ is bonded in a distorted square co-planar geometry to four equivalent Br1- atoms. All N–Br bond lengths are 2.21 Å. Br1- is bonded in a distorted square co-planar geometry to four equivalent N1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuNi2B2C by Materials Project

EuNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Eu–C bond lengths are 2.59 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CEu4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. All Ni–B bond lengths are 2.10 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.48 Å. C4- is bonded to four equivalent Eu2+ and two equivalent B atoms to form distorted CEu4B2 octahedra that share corners with four equivalent CEu4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CEu4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbNi2B2C by Materials Project

TbNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Tb–C bond lengths are 2.52 Å. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CTb4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Ni–B bond lengths are 2.09 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B3- atoms to form distorted CTb4B2 octahedra that share corners with four equivalent CTb4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CTb4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdNi2B2C by Materials Project

NdNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Nd–C bond lengths are 2.61 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CNd4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. All Ni–B bond lengths are 2.10 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four equivalent Nd2+ and two equivalent B atoms to form distorted CNd4B2 octahedra that share corners with four equivalent CNd4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CNd4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbNi2B2C by Materials Project

YbNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Yb–C bond lengths are 2.54 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CYb4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ni–B bond lengths are 2.07 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.46 Å. C4- is bonded to four equivalent Yb2+ and two equivalent B atoms to form distorted CYb4B2 octahedra that share corners with four equivalent CYb4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CYb4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmNi2B2C by Materials Project

SmNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Sm–C bond lengths are 2.57 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CSm4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ni–B bond lengths are 2.10 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four equivalent Sm2+ and two equivalent B atoms to form distorted CSm4B2 octahedra that share corners with four equivalent CSm4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CSm4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThNi2B2C by Materials Project

ThNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Th–C bond lengths are 2.61 Å. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CTh4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. All Ni–B bond lengths are 2.11 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C2- atom. The B–C bond length is 1.51 Å. C2- is bonded to four equivalent Th4+ and two equivalent B3- atoms to form distorted CTh4B2 octahedra that share corners with four equivalent CTh4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CTh4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UNi2B2C by Materials Project

UNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All U–C bond lengths are 2.46 Å. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CU4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ni–B bond lengths are 2.08 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C4- atom. The B–C bond length is 1.51 Å. C4- is bonded to four equivalent U6+ and two equivalent B3- atoms to form distorted CU4B2 octahedra that share corners with four equivalent CU4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CU4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCo2B2C by Materials Project

TbCo2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Tb–C bond lengths are 2.51 Å. Co2+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with four equivalent CTb4B2 octahedra, corners with four equivalent CoB4 tetrahedra, and edges with four equivalent CoB4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–B bond lengths are 2.07 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Co2+ and one C2- atom. The B–C bond length is 1.50 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B3- atoms to form distorted CTb4B2 octahedra that share corners with four equivalent CTb4B2 octahedra, corners with eight equivalent CoB4 tetrahedra, and edges with four equivalent CTb4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbO2 by Materials Project

PbO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pb4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pb–O bond lengths are 2.21 Å. O2- is bonded in a trigonal planar geometry to three equivalent Pb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YH3 by Materials Project

YH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Y3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Y–H bond distances ranging from 2.14–2.50 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms. In the second H1- site, H1- is bonded to four equivalent Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing HY4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnTe by Materials Project

ZnTe is Millerite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zn2+ is bonded to five equivalent Te2- atoms to form a mixture of distorted edge and corner-sharing ZnTe5 trigonal bipyramids. There are a spread of Zn–Te bond distances ranging from 2.72–2.89 Å. Te2- is bonded in a distorted pentagonal planar geometry to five equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnO2 by Materials Project

SnO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sn4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sn–O bond lengths are 2.09 Å. O2- is bonded in a trigonal planar geometry to three equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuO2 by Materials Project

PuO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pu4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Pu–O bond lengths are 2.23 Å. O2- is bonded in a trigonal planar geometry to three equivalent Pu4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuF3 by Materials Project

LuF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Lu–F bond distances ranging from 2.23–2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Lu3+ atoms.

36 MATERIALS SCIENCE↗