Surface relaxation and rumpling of Sn-doped β−Ga2O3(010)

Unravelling the surface structure of β-Ga2O3 (100)

“…The uncertaintyis about 0.05 Å considering the statistical analysis of the R a factor. 20,28 Results and discussion 1s XPD measurements, the forward scattering provides more sensitivity toward the position and directions of atoms on the surface structure. A higher intensity of collected photoelectrons from the surface is represented by the brighter spots in the XPD pattern.…”

“…13,14 Bermudez 5 performed ab initio theory with Hartree-Fock calculations for the slab relaxations of low index surfaces planes, such as (100), ( 010 Regarding 2D Ga 2 O 3 and Bulk like b-Ga 2 O 3 (100) there is some disagreement between theoretical and experimental observations, 5,[16][17][18] moreover the different preparation methods used for the production of the surface may promote other surfaces congurations, such as the enrichment of Ga and/or O vacancies, and consequently variations in interplanar distances at surfaces. 5,15,[19][20][21][22] For experimental studies, the ultra-high vacuum (UHV) methodologies with surface science are adequate to extract structural and electronic parameters of surface, but in the same time, it is a challenge to obtain this information straight forwardly via in situ experiments. Therefore, the goal of this work is to characterize the surface structure of b-Ga 2 O 3 (100) in situ with surface science techniques.…”

“…These results demonstrate the importance the surface terminations have on electronic properties. Pancotti et al 20 performed XPD (X-ray photoelectron diffraction) experiments with (MSCD) multiple scattering calculation diffraction and DFT calculations. This study shows the significant displacements in the first topmost slab surface, moreover, this calculation shows an important rumpling between gallium and oxygen atoms in the topmost surface slabs, for β-Ga 2 O 3 (010).…”

Tunable electronic and optical properties of ferroelectric WS2/Ga2O3 heterostructures

“…Furthermore, Ga 2 O 3 , as a compatible material in the realm of complementary metal oxide semiconductors, demonstrates superior suitability for electronic device applications compared to In 2 Se 3 . The Ga 2 O 3 has been extensively researched as a typical ultra-wide band semiconductor, but the research on 2D Ga 2 O 3 is still in the initial step [47][48][49][50][51][52][53]. The fabrication of bulk gallium oxide is presently quite well established, and quasi-2D Ga 2 O 3 (thickness less than 100 nm) has been obtained experimentally using mechanical exfoliation, due to its strong covalent bonds making it difficult to obtain a truly 2D monolayer [54,55].…”