Wurtzite structure in ultrathin ZnO films on Fe(110): Surface x-ray diffraction and ab initio calculations
Using surface x-ray diffraction in combination with ab initio calculations we have studied the atomic structure of ultra-thin ZnO films deposited on Fe(110). In contrast to expectation that ZnO adopts the "graphitic" hexagonal Boron-nitride structure to the Wurtzite (WZ) structure is obser...
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| Veröffentlicht in: | Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-08, Vol.90 (8), Article 085423 |
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| container_title | Physical review. B, Condensed matter and materials physics |
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| creator | Meyerheim, H. L. Ernst, A. Mohseni, K. Tusche, C. Adeagbo, W. A. Maznichenko, I. V. Hergert, W. Castro, G. R. Rubio-Zuazo, J. Morgante, A. Jedrecy, N. Mertig, I. Kirschner, J. |
| description | Using surface x-ray diffraction in combination with ab initio calculations we have studied the atomic structure of ultra-thin ZnO films deposited on Fe(110). In contrast to expectation that ZnO adopts the "graphitic" hexagonal Boron-nitride structure to the Wurtzite (WZ) structure is observed. Its formation is related to oxygen impurities in Fe(110) hollow sites inducing an anisotropic charge redistribution within the film which is characterized by a metallic surface. Our results provide a deeper understanding of depolarization mechanisms in ultrathin polar films at the atomic scale. |
| doi_str_mv | 10.1103/PhysRevB.90.085423 |
| format | Article |
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L. ; Ernst, A. ; Mohseni, K. ; Tusche, C. ; Adeagbo, W. A. ; Maznichenko, I. V. ; Hergert, W. ; Castro, G. R. ; Rubio-Zuazo, J. ; Morgante, A. ; Jedrecy, N. ; Mertig, I. ; Kirschner, J.</creator><creatorcontrib>Meyerheim, H. L. ; Ernst, A. ; Mohseni, K. ; Tusche, C. ; Adeagbo, W. A. ; Maznichenko, I. V. ; Hergert, W. ; Castro, G. R. ; Rubio-Zuazo, J. ; Morgante, A. ; Jedrecy, N. ; Mertig, I. ; Kirschner, J.</creatorcontrib><description>Using surface x-ray diffraction in combination with ab initio calculations we have studied the atomic structure of ultra-thin ZnO films deposited on Fe(110). In contrast to expectation that ZnO adopts the "graphitic" hexagonal Boron-nitride structure to the Wurtzite (WZ) structure is observed. Its formation is related to oxygen impurities in Fe(110) hollow sites inducing an anisotropic charge redistribution within the film which is characterized by a metallic surface. 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A.</au><au>Maznichenko, I. V.</au><au>Hergert, W.</au><au>Castro, G. R.</au><au>Rubio-Zuazo, J.</au><au>Morgante, A.</au><au>Jedrecy, N.</au><au>Mertig, I.</au><au>Kirschner, J.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Wurtzite structure in ultrathin ZnO films on Fe(110): Surface x-ray diffraction and ab initio calculations</atitle><jtitle>Physical review. B, Condensed matter and materials physics</jtitle><date>2014-08-20</date><risdate>2014</risdate><volume>90</volume><issue>8</issue><artnum>085423</artnum><issn>1098-0121</issn><eissn>1550-235X</eissn><abstract>Using surface x-ray diffraction in combination with ab initio calculations we have studied the atomic structure of ultra-thin ZnO films deposited on Fe(110). In contrast to expectation that ZnO adopts the "graphitic" hexagonal Boron-nitride structure to the Wurtzite (WZ) structure is observed. 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| issn | 1098-0121 1550-235X |
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| source | American Physical Society Journals |
| subjects | Atomic structure Condensed Matter Deposition Diffraction Mathematical analysis Physics Wurtzite X-rays Zinc oxide |
| title | Wurtzite structure in ultrathin ZnO films on Fe(110): Surface x-ray diffraction and ab initio calculations |
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