Wurtzite structure in ultrathin ZnO films on Fe(110): Surface x-ray diffraction and ab initio calculations
| Title | Wurtzite structure in ultrathin ZnO films on Fe(110): Surface x-ray diffraction and ab initio calculations |
| Publication Type | Journal Article |
| Year of Publication | 2014 |
| Authors | Meyerheim, HL, Ernst, A, Mohseni, K, Tusche, C, Adeagbo, WA, Maznichenko, IV, Hergert, W, Castro, GR, Rubio-Zuazo, J, Morgante, A, Jedrecy, N, Mertig, I, Kirschner, J |
| Journal | Physical review. B, Condensed matter and materials physics |
| Volume | 90 |
| ISSN | 1098-0121 |
| Keywords | depolarization, POLAR SURFACES, Ultra thin films |
| 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 ġraphitic\" 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 | 10.1103/PhysRevB.90.085423 |
