Single-crystal x-ray structure analysis apparatus and method, and sample holder unit therefor
US-2024027373-A1 · Jan 25, 2024 · US
US2023152248A1 · US · A1
| Field | Value |
|---|---|
| Publication number | US-2023152248-A1 |
| Application number | US-202217988867-A |
| Country | US |
| Kind code | A1 |
| Filing date | Nov 17, 2022 |
| Priority date | Nov 18, 2021 |
| Publication date | May 18, 2023 |
| Grant date | — |
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A correction amount specifying apparatus comprises circuitry for storing diffraction data including a combination of the diffraction angle of the irradiation X-rays with respect to the sample rotation angle and the sample surface height, the diffraction data being acquired by irradiating X-rays to a standard sample that is an aggregate of isotropic and stress free crystal particles, determining a first correspondence relationship based on the diffraction data, and specifying a correction amount of the sample surface height with respect to a desired sample rotation angle and a desired diffraction angle based on the first correspondence relationship.
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What is claimed is: 1 . A correction amount specifying apparatus for specifying a correction amount for a deviation of an X-ray irradiation position caused by rotation of a sample with respect to a measurement system, comprising: processing circuitry configured to store diffraction data including a combination of a diffraction angle of the irradiated X-rays with respect to the sample rotation angle and the sample surface height, the diffraction data being acquired by irradiating X-rays to a standard sample that is an aggregate of isotropic and stress free crystal particles, determine a first correspondence relationship based on the diffraction data, and specify a correction amount of the sample surface height with respect to a desired sample rotation angle and a desired diffraction angle based on the first correspondence relationship. 2 . The correction amount specifying apparatus according to claim 1 , wherein the sample rotation angle is at least one of an angle χ around an axis in a X-rays progressing direction perpendicular to a scattering vector and an angle ω around an axis in a direction perpendicular to an optical path surface. 3 . The correction amount specifying apparatus according to claim 1 , wherein the first correspondence relationship is a polynomial formula of the diffraction angle representing the correction amount of the sample surface height, the polynomial formula having a polynomial formula of the sample rotation angle as a coefficient. 4 . The correction amount specifying apparatus according to claim 1 , wherein the processing circuitry is further configured to control a relative position of the sample with the correction amount of the sample surface height with respect to the desired sample rotation angle and the desired diffraction angle. 5 . The correction amount specifying apparatus according to claim 4 , wherein the processing circuitry is further configured to store a reference position data in a direction parallel to the sample surface measured using a jig whose position is controlled to be corrected in the sample surface height direction with respect to the desired sample rotation angle and the diffraction angle, and specify a correction amount in a direction parallel to the sample surface based on the reference position data with a second correspondence relationship. 6 . The correction amount specifying apparatus according to claim 5 , wherein the second correspondence relationship is a polynomial formula of the diffraction angle representing a correction amount in a direction parallel to the sample surface, the polynomial formula having a polynomial formula of the sample rotation angle as a coefficient. 7 . A jig with a flat-plate shape for correcting a deviation of an X-ray irradiation position caused by rotation of a sample with respect to a measurement system, comprising: a first region and a second region provided adjacent each other on the receiving surface and respectively formed of materials whose intensity of the scattered X-rays are different, wherein the jig is mounted on the X-ray diffraction apparatus so as to be able to measure the scattered X-ray intensity by scanning the irradiation position to cross the boundary between the first region and the second region. 8 . The jig according to claim 7 , wherein the boundaries between the first region and the second region are straight lines perpendicular to each other. 9 . The jig according to claim 7 , wherein the first region is formed of stainless steel and the second region is formed of Si. 10 . The jig according to claim 7 , wherein the second region is formed of an aggregate of crystal particles. 11 . A correction amount specifying method for specifying a correction amount for a deviation of an X-ray irradiation position caused by rotation of a sample with respect to a measurement system, comprising the steps of: acquiring diffraction data including a combination of a diffraction angle of the irradiated X-rays with respect to the sample rotation angle and the sample surface height, the diffraction data being acquired by irradiating X-rays to a standard sample that is an aggregate of isotropic and stress free crystal particles, determining a first correspondence relationship based on the diffraction data, and specifying a correction amount of the sample surface height with respect to a desired sample rotation angle and a desired diffraction angle based on the first correspondence relationship. 12 . A non-transitory computer readable recording medium having recorded thereon a correction amount specifying program for specifying a correction amount for a deviation of an X-ray irradiation position caused by rotation of a sample with respect to a measurement system, causing a computer to execute the processes of: determining a first correspondence relationship based on a diffraction data including a combination of a diffraction angle of the irradiated X-rays with respect to the sample rotation angle and the sample surface height, the diffraction data being acquired by irradiating X-rays to a standard sample that is an aggregate of isotropic and stress free crystal particles, and specifying a correction amount of the sample surface height with respect to a desired sample rotation angle and a desired diffraction angle based on the first correspondence relationship.
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