Authors: Hocker, Stephen | Lipp, Hansjörg | Schmauder, Siegfried | Bakulin, Alexander V. | Kulkova, Svetlana E.

Source: Applied surface science. 2022. Vol. 598. P. 153714 (1-9)

Type: статьи в журналах

Date: 2022

Description: Interfacial bonding of three different semi-coherent bcc-Fe(110)/graphene interfaces is investigated using the plane-wave pseudopotential method within density functional theory. The analysis of bond ... More

Authors: Chumakova, Lora S. | Bakulin, Alexander V. | Hocker, Stephen | Schmauder, Siegfried | Kulkova, Svetlana E.

Source: Metals. 2022. Vol. 12, № 3. P. 492 (1-12)

Type: статьи в журналах

Date: 2022

Description: The atomic structure and surface energies of several low-index surfaces (0001), (1100) and (1120) of Ti5Si3 in dependence on their termination were calculated by the projector augmentedwave method wit ... More

Authors: Hocker, Stephen | Lipp, Hansjörg | Schmauder, Siegfried | Bakulin, Alexander V. | Kulkova, Svetlana E.

Source: Journal of alloys and compounds. 2021. Vol. 853. P. 156944 (1-9)

Type: статьи в журналах

Date: 2021

Description: Co(0001)/TaC(01) interfaces with Re impurities are investigated using the plane-wave pseudopotential method within density functional theory. Two interface configurations and several interfacial sites ... More

Authors: Bakulin, Alexander V. | Hocker, Stephen | Kulkova, Svetlana E.

Source: Physical Mesomechanics. 2021. Vol. 24, № 5. P. 523-532

Type: статьи в журналах

Date: 2021

Description: A systematic study of the atomic and electronic structure of the γ-TiAl(111)/α-Al2O3(0001) interface with intermediate metal (Nb, Mo, Ni, Re) and oxide (Nb2O5, MoO3) layers has been performed by the p ... More