Petr Khomyakov

Background

About Petr Khomyakov

20+ years of experience in atomistic modeling of materials, complex material structures and devices for microelectronics, using first-principles electronic structure and electron transport methods. METHODS: Density Functional Theory, PW and LCAO pseudopotential, Molecular dynamics, NEGF electron transport. APPLICATIONS: FETs, MIM and MFM capacitors, HKMG and MRAM stacks, metal contacts, semiconductor compounds, nanowires and heterostructures; 2D materials and related FETs- FET: IV characteristics from first-principles, atomistic simulations- MIM, MFM: permittivity of gap materials, permittivity profile, ferroelectric properties- HKMG: band alignment, effective work function, effect of dopants- Spintronics: atomistic modeling of realistic, multilayered MRAM stack, interface chemistry effect on spin filtering and injection in graphite-based heterojunctions; optically switchable magnetic materials- Metal contacts: Schottky barrier, band bending, contact resistance- Semiconductor alloys: alloy structure models, the structural and electronic properties of alloys- 2D materials: metal-graphene contacts; band bending in low-dimensional systems; 2D semiconductors (e.g, MoS2, black phosphorous) and 2D FETs- Charged defects: semiconductor and insulator materials, and related interfaces- Strain engineering for the electronic structure and lattice dynamics of elemental and compound semiconductors- Photovoltaics: atomistic modeling of hydrogenated amorphous silicon (a-Si:H); defect model; light-induced degradation of a-Si:H-based solar cells.