| 1. |
Demchenko I. N.♦, Shokri A.♦, Syryanyy Y.♦, Melikhov Y., Chernyshova M.♦, Turek M.♦, Droździel A.♦, Munnik F.♦, Jakieła R.♦, Minikayev R.♦, Domagala J. Z.♦, Derkachova A.♦, Zaja̧c M.♦, Krajczewski J.♦, Grzanka E.♦, Galazka Z.♦, Dopant Molecularization in β-Ga2O3: Formation of N2 under Nonequilibrium Conditions,
Journal of Physical Chemistry Letters , ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.6c01536, Vol.17, No.29, pp.8232-8239, 2026 Abstract:
The microscopic fate of dopants introduced under nonequilibrium conditions remains largely unresolved in wide-band gap oxides. Using temperature-dependent N K-edge X-ray absorption spectroscopy, we directly resolve the local bonding configuration of implanted nitrogen in (100) β-Ga2O3. The spectra are dominated by a sharp π* resonance characteristic of N≡N bonding that systematically intensifies upon annealing, providing a direct spectroscopic fingerprint of molecular nitrogen formation. First-principles calculations and multiple-scattering simulations reproduce these spectral features and identify molecular N2 as the dominant dopant state. Rather than forming substitutional acceptors, implanted nitrogen evolves toward N2-like configurations stabilized in defect-rich environments associated with local β→γ-like structural motifs. This behavior reflects a thermally driven reconfiguration of nitrogen within the damaged layer. These results demonstrate that dopant incorporation can proceed via molecularization pathways that bypass conventional substitutional doping, providing a general mechanism for dopant deactivation under nonequilibrium incorporation conditions in oxides. Affiliations:
| Demchenko I. N. | - | Institute of Physics, Polish Academy of Sciences (PL) | | Shokri A. | - | other affiliation | | Syryanyy Y. | - | Institute of Physics, Polish Academy of Sciences (PL) | | Melikhov Y. | - | IPPT PAN | | Chernyshova M. | - | Institute of Plasma Physics and Laser Microfusion (PL) | | Turek M. | - | other affiliation | | Droździel A. | - | other affiliation | | Munnik F. | - | other affiliation | | Jakieła R. | - | other affiliation | | Minikayev R. | - | other affiliation | | Domagala J. Z. | - | other affiliation | | Derkachova A. | - | other affiliation | | Zaja̧c M. | - | other affiliation | | Krajczewski J. | - | other affiliation | | Grzanka E. | - | other affiliation | | Galazka Z. | - | other affiliation |
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| 2. |
Dłużewski P., Domagala J.Z.♦, Kret S.♦, Jarosz D.♦, Kryśko M.♦, Teisseyre H.♦, Phase-transition critical thickness of rocksalt MgxZn1−xO layers,
The Journal of Chemical Physics, ISSN: 0021-9606, DOI: 10.1063/5.0042415, Vol.154, pp.154701-1-8, 2021Abstract:
The rocksalt structure of ZnO has a very promising bandgap for optoelectronic applications. Unfortunately, this high-pressure phase is unstable under ambient conditions. This paper presents experimental results for rocksalt-type ZnO/MgO superlattices and theoretical considerations of the critical thickness of MgxZn1−xO layers. The correlations between the layer/spacer thickness ratio, elastic strain, chemical composition, and critical thickness are analyzed. The Matthews and Blakeslee model is revisited to find analytic conditions for the critical layer thickness resulting in phase transition. Our analysis shows that due to the decrease in misfit stresses below some critical limit, the growth of multiple quantum wells composed of rocksalt ZnO layers and MgO spacers is possible only for very large layer/spacer thickness ratios. Affiliations:
| Dłużewski P. | - | IPPT PAN | | Domagala J.Z. | - | other affiliation | | Kret S. | - | Institute of Physics, Polish Academy of Sciences (PL) | | Jarosz D. | - | Institute of High Pressure Physics, Polish Academy of Sciences (PL) | | Kryśko M. | - | other affiliation | | Teisseyre H. | - | Institute of Physics, Polish Academy of Sciences (PL) |
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