Crystal structure of monoclinic hafnia (HfO<sub>2</sub>) revisited with synchrotron X-ray, neutron diffraction and first-principles calculations.

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第一作者： Santanu,Pathak

第一单位： Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata 700 064, India.

作者： Santanu,Pathak ^[1] ; Parnika,Das ^[1] ; Tilak,Das ^[2] ; Guruprasad,Mandal ^[3] ; Boby,Joseph ^[4] ; Manjulata,Sahu ^[5] ; S D,Kaushik ^[6] ; Vasudeva,Siruguri ^[6]

作者单位： Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata 700 064, India. ^[1] Dipartimento di Scienza dei Material, Università degli Studi di Milano-Bicocca, Via R. Cozzi 55, Milano 20125, Italy. ^[2] Centre for Rural and Cryogenic Technologies, Jadavpur University, Kolkata 700 032, India. ^[3] Elettra-Sincrotrone Trieste, S.S. 14, Km 163.5 in Area Science Park, Basovizza, 34149 Trieste, Italy. ^[4] Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India. ^[5] UGC-DAE Consortium for Scientific Research, 246C, CFB, Bhabha Atomic Research Centre, Mumbai 400 085, India. ^[6]

关键词 DFT Rietveld refinement band gap hafnia hybrid functional neutron diffraction powder diffraction synchrotron radiation

DOI 10.1107/S2053229620013960

PMID 33148879

发布时间 2020-11-05

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Acta crystallographica. Section C, Structural chemistry

2020年76卷Pt 11期

1034-1042页

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Crystal structure of monoclinic hafnia (HfO<sub>2</sub>) revisited with synchrotron X-ray, neutron diffraction and first-principles calculations.

Acta crystallographica. Section C, Structural chemistry

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Acta crystallographica. Section C, Structural chemistry

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Crystal structure of monoclinic hafnia (HfO<sub>2</sub>) revisited with synchrotron X-ray, neutron diffraction and first-principles calculations.

Acta crystallographica. Section C, Structural chemistry

相似文献

Acta crystallographica. Section C, Structural chemistry

相关期刊

检索历史清除