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Lattice dynamics and thermodynamic stability of nitride semiconductors surfaces based on ab initio methods.

2017/27/B/ST3/01899

Keywords

Descriptors

  • ST3_7: Półprzewodniki
  • ST3_6: Dynamika sieci krystalicznych
  • ST3_18: Przejścia fazowe, równowaga faz

Panel

ST3 – Condensed matter physics: structure, electronic properties, fluids, nanosciences, biological physics

Host institution

Instytut Wysokich Ciśnień PAN

Voivodeship: mazowieckie

Other projects carried out by the institution »

Principal investigator (from the host institution)

dr Paweł Tomasz Kempisty

Number of co-investigators in the project: 3

Call

OPUS 14 – announced on 2017-09-15

Amount awarded
262 400 PLN
Project start date
2018-06-29
Project end date
2021-04-28
Project duration
34 months (the same as in the proposal)
Project status
Project settled

Project description

Download the project description in a pdf file

Note — project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Zestaw komputerowy (stacja robocza). Cost: 9 000 PLN

Information in the final report

Publication in academic press/journals (8)

  1. Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells

    Authors:
    Ashfaq Ahmad, Pawel Strak, Kamil Koronski, Pawel Kempisty, Konrad Sakowski, Jacek Piechota, Izabella Grzegory, Aleksandra Wierzbicka, Serhii Kryvyi, Eva Monroy, Agata Kaminska, Stanislaw Krukowski
    Academic press:
    Materials (year: 2021, volume: 14, pages: 4935), Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
    Status:
    Published
    DOI:
    10.3390/ma14174935 – link to the publication

  2. Adsorption of nitrogen at AlN(000-1) surface – Decisive role of structural and electronic factors

    Authors:
    Pawel Strak, Konrad Sakowski, Jacek Piechota, Ashfaq Ahmad, Izabella Grzegory, Yoshihiro Kangawa, Stanislaw Krukowski
    Academic press:
    Surface Science (year: 2021, volume: 713, pages: 121891), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.susc.2021.121891 – link to the publication

  3. Facet stability of GaN during tri-halide vapor phase epitaxy: an ab initio-based approach

    Authors:
    Daichi Yosho, Yuriko Matsuo, Akira Kusaba, Pawel Kempisty, Yoshihiro Kangawa, Hisashi Murakami and Akinori Koukitu
    Academic press:
    CrystEngComm (year: 2021, volume: 23, pages: 1423-1428), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D0CE01683G – link to the publication

  4. Evolution of the free energy of the GaN(0001) surface based on first-principles phonon calculations

    Authors:
    Pawel Kempisty, Yoshihiro Kangawa
    Academic press:
    Physical Review B (year: 2019, volume: 100, pages: 85304), Publisher: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevB.100.085304 – link to the publication

  5. Ab initio and thermodynamic picture of Al adsorption of AlN(0001) surface – Role of bond creation and electron transition contributions

    Authors:
    Pawel Kempisty, Pawel Strak, Konrad Sakowski, Yoshihiro Kangawa, Stanislaw Krukowski
    Academic press:
    Applied Surface Science (year: 2020, volume: 532, pages: 147419), Publisher: Elsevier B.V.
    Status:
    Published
    DOI:
    10.1016/j.apsusc.2020.147419 – link to the publication

  6. Catalytic Synthesis of Nitric Monoxide at the AlN (0001) Surface: Ab Initio Analysis

    Authors:
    Pawel Strak, Konrad Sakowski, Pawel Kempisty, Izabella Grzegory, Stanislaw Krukowski
    Academic press:
    The Journal of Physical Chemistry C (year: 2019, volume: 123, pages: 10893-10906), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.8b12472 – link to the publication

  7. Chemical inactivity of GaN(0001) surface - The role of oxygen adsorption - Ab initio picture

    Authors:
    Pawel Kempisty, Pawel Strak, Konrad Sakowski, Stanislaw Krukowski
    Academic press:
    Materials Science in Semiconductor Processing (year: 2019, volume: 91, pages: 252-259), Publisher: Elsevier Ltd.
    Status:
    Published
    DOI:
    10.1016/j.mssp.2018.11.023 – link to the publication

  8. Adsorption of N2 and H2 at AlN(0001) Surface: Ab Initio Assessment of the Initial Stage of Ammonia Catalytic Synthesis

    Authors:
    Pawel Strak, Konrad Sakowski, Pawel Kempisty, Izabella Grzegory, Stanislaw Krukowski
    Academic press:
    The Journal of Physical Chemistry C (year: 2018, volume: 122, pages: 20301-20311), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.8b05009 – link to the publication

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