Павлова Татьяна Витальевна
Базовая кафедра квантовых технологий Института общей физики им. А.М. Прохорова РАН
Профессиональные интересы
Должности
- Доцент — Базовая кафедра квантовых технологий Института общей физики им. А.М. Прохорова РАН
Био
- · Начала работать в НИУ ВШЭ в 2017 году.
- · Научно-педагогический стаж: 15 лет.
Образование
- 2007 · Кандидат физико-математических наук
- 2003 · Специалитет: Национальный исследовательский ядерный университет "МИФИ", специальность «Ядерная физика», квалификация «Инженер-физик»
Награды и поощрения
- · Благодарность факультета физики НИУ ВШЭ (февраль 2024)
- · Надбавка за публикацию в журнале из Списка А (и приравненном к нему научном издании) (2025–2026, 2024–2025, 2023–2024)
- · Надбавка за публикацию в международном рецензируемом научном издании (2022–2023, 2021–2022, 2020–2022, 2019–2020, 2018–2019)
Идентификаторы исследователя
- ORCID:
0000-0002-7332-9056 - ResearcherID:
I-9760-2014 - SPIN РИНЦ:
2484-3386 - Google Scholar: https://scholar.google.com/citations?user=x9bKdgUAAAAJ&hl=en
- Scopus AuthorID:
36857504500
Публикации (32)
Local removal of silicon layers on Si(1 0 0)-2 × 1 with chlorine-resist STM lithography
2020 · ARTICLE · en
We report the realization of STM-based lithography with silicon layers removal on the chlorinated Si(100)-2x1 surface at 77K. In contrast to other STM lithography studies, we were able to remove locally both chlorine and silicon atoms. Most of the etched pits have a lateral size of 10-20A and a depth of 1-5A. In the pits in which the STM image with atomic resolution is obtained, the bottom is mainly covered with chlorine. Some pits contain chlorine vacancies. Mechanisms of STM-induced removal of silicon and chlorine atoms on Si(100)-2x1-Cl are discussed and compared with the well-studied case of STM-induced hydrogen desorption on Si(100)-2x1-H. The results open up new possibilities of the three-dimensional local etching with STM lithography.
Hydrogen inserted into the Si(100)-2×1-H surface: a first-principles study
2020 · ARTICLE · en
Hydrogen can be inserted into Si(100)-2 × 1-H during surface preparation or during the hydrogen desorption lithography used to create atomic-scale devices. Here, a hydrogen atom inserted into a hydrogen monolayer on the Si(100)-2 × 1 surface has been studied using density functional theory. Hydrogen-induced defects were considered in their neutral, negative, and positive charge states. It was found that hydrogen forms a dihydride unit on the surface in the most stable neutral and negative charge states. Hydrogen located in the groove between dimer rows is also one of the most stable negative charge states. In the positive charge state, hydrogen forms a three-center bond inside a Si dimer, Si–H–Si, similar to the bulk case. A comparison of simulated scanning tunneling microscopy (STM) images with the experimental data available in the literature showed that neutral and negatively charged hydrogen-induced defects were already observed in experiments. The results reveal that the H atom inserted into a hydrogen monolayer on the Si(100)-2 × 1 surface can lead to the formation of a positively or negatively charged defect. It is shown that H atoms in the considered configurations can play a role in various surface reactions.
Chlorine insertion and manipulation on the Si(100)-2x1-Cl surface in the regime of local supersaturation
2020 · ARTICLE · en
We insert and manipulate a single chlorine atom in chlorine monolayer on a Si(100)-2 × 1 surface using a scanning tunneling microscope. Two objects were created—a Cl atom in a groove between two dimer rows, and bridge-bonded Cl on a silicon dimer. Changing the voltage polarity leads to conversion of the objects into each other. Anisotropic movement of the objects at 77 K is mediated by two different diffusion mechanisms: hopping and crowdion-like motion. Insertion of a Cl atom in a groove between two dimer rows leads to the formation of a dangling bond on a third-layer Si atom. At positive sample voltage bias, the first object is positively charged while the second object can be neutral or negatively charged depending on silicon sample doping.
Room Temperature Propylene Dehydrogenation and Linear Atomic Chain Formation on Ni(111)
2020 · ARTICLE · en
The structures formed by propylene adsorption on Ni(111) at room temperature are determined by a combination of scanning tunneling microscopy and density functional theory. As a result of the interaction with the Ni(111) surface, propylene molecules are dehydrogenated and coupled into linear hydrocarbon chains. The length of the chains varies from 8 to 60 Å, with the most frequently observed length of 18 Å. At saturated coverage, some chains are closed in rings with a diameter of 6 Å. A C12H12 model is proposed for most often observed chains. We demonstrate the possibility of combining initial propylene molecules into chains after dehydrogenation of the CH3 fragment.
Room Temperature Propylene Dehydrogenation and Linear Atomic Chains Formation on Ni(111)
2020 · ARTICLE · en
The structures formed by propylene adsorption on Ni(111) at room temperature are determined by a combination of scanning tunneling microscopy and density functional theory. As a result of the interaction with the Ni(111) surface, propylene molecules are dehydrogenated and coupled into linear hydrocarbon chains. The length of the chains varies from 8 to 60 Å, with the most frequently observed length of 18 Å. At saturated coverage, some chains are closed in rings with a diameter of 6 Å. A C12H12 model is proposed for most often observed chains. We demonstrate the possibility of combining initial propylene molecules into chains after dehydrogenation of the CH3 fragment.
Термопрограммируемый синтез монокристаллов квазисвободного N-графена из молекул ацетонитрила
2020 · ARTICLE · ru
На поверхности Ni(111) реализован оригинальный термопрограммируемый рост монокристаллов азотированного графена размером с подложку. Технологический процесс включает в себя адсорбцию ацетонитрила при температуре около −10 °C, флэш-прогрев образца до 140 °C, отжиг при 400 °C для образования сплошного эпитаксиального монослоя углерода со структурой графена. Интеркаляция золота под слой углерода на поверхности Ni(111) приводит к формированию квазисвободного монокристалла N-графена. Для определения структуры азотных центров в графене использовалась сканирующая туннельная микроскопия совместно с расчетами на основе теории функционала плотности. В частности, установлено, что азот может входить в решетку графена как в виде отдельных атомов, так и виде кластеров из двух и трех атомов. Концентрация азота в графене может составлять от 0.2 до 0.6 %.
Ni-Doped Epitaxial Graphene Monolayer on the Ni(111) Surface
2020 · ARTICLE · en
Nickel-doped graphene has been synthesized from propylene on the Ni(111) surface and studied using scanning tunneling microscopy (STM) and density functional theory (DFT). It is established that nickel centers are formed during graphene synthesis on the Ni(111) surface by both chemical vapor deposition (CVD) and temperature-programmed growth (TPG); apparently, they are always present in graphene synthesized on Ni(111). The centers are observed in STM images as single defects or defect chains and identified by DFT calculations as Ni atoms in carbon bivacancies. These nickel atoms are positively charged and may be of interest for single-atom catalysis. The incorporated Ni atoms should remain in graphene after the detachment from the substrate since they bound more strongly with carbon atoms in graphene than with substrate nickel atoms.
Ab Initio Study of the Early Stage of Si Epitaxy on the Chlorinated Si(100) Surface
2019 · ARTICLE · en
The homoepitaxial growth of Si on Si(100) covered by a resist mask is a necessary technological step for the fabrication of donor-based quantum devices with scanning tunneling microscope lithography. In the present work, the chlorine monolayer is selected as the resist. Using density functional theory, we investigated the adsorption of a single silicon atom on Si(100)-2 × 1-Cl as the starting process of Si epitaxy. The incorporation of a silicon atom under a Cl monolayer proved to be the most energetically favorable process. Our results show that chlorine segregates on the surface during Si deposition and does not incorporate into homoepitaxial layers. In addition, we found that SiCl2*, SiCl3*, and SiCl4* clusters can be formed above a Si(100)-2 × 1-Cl surface while Si is adsorbed. SiCl2* clusters are bound weakly to the substrate, and their desorption leaves the silicon surface free of chlorine. To check whether the Si epitaxy is possible on the chlorine resist, we compare our results with the well-studied case of a hydrogen resist. We find the two processes to be similar; moreover, epitaxy on chlorine resist appears to have an advantage.
Iodine Adsorption on Ni(110): 2D-Phase Transitions and NiI2 Growth
2019 · ARTICLE · en
Scanning tunneling microscopy (STM), lowenergy electron diffraction (LEED), Auger electron spectroscopy (AES) and density functional theory (DFT) calculations have been used to investigate the I2 adsorption on the Ni(110) surface. Dissociative adsorption takes place rapidly to form a c(2×2) layer at iodine coverage of 0.5 ML. DFT calculations show that hollow sites are energetically preferable for iodine adsorption on the Ni(110) surface. Increase of iodine coverage above 0.5 ML leads to the commensurate-incommensurate phase transition via nucleation of loops of domain-walls and to their subsequent ordering into the striped superstructure. At saturation, a striped domain-wall phase degenerates into the uniaxially compressed quasi-hexagonal phase. Further iodine dosing leads to the nucleation and growth of 2D nickel iodide islands.
First-Principle Study of Phosphine Adsorption on Si(001)-2x1-Cl
2018 · ARTICLE · en
This paper presents a density functional theory study for phosphine adsorption on a Si(001)-2 × 1 surface covered by a chlorine monolayer, including adsorption on local defects, i.e., mono- and bivacancies in the adsorbate layer (Cl, Cl2), and combined vacancies with removed silicon atoms (SiCl, SiCl2). Activation barriers were found for the adsorbing PH3 to dissociate into PH2 + H and PH + H2 fragments; it was also established that phosphine dissociation on combined vacancies is possible at room temperature. If there is a silicon vacancy on the surface, phosphorus settles in the Si(001) lattice as PH (if the vacancy is SiCl) or as PH2 (if the vacancy is SiCl2). This paper suggests a method to plant a separate phosphorus atom into the silicon surface layer with atomic precision, using phosphine adsorption on defects specially created on a Si(001)-2 × 1–Cl surface with a scanning tunneling microscope tip.
Курсы (1)
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Компьютерное моделирование многоатомных систем · 5 раза
2025/2026, 2024/2025, 2023/2024, 2022/2023, 2021/2022 · Бакалавриат / Магистратура / Маго-лего · рус