scholarly journals Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth

2017 ◽  
Vol 96 (19) ◽  
Author(s):  
Sit Kerdsongpanya ◽  
Olle Hellman ◽  
Bo Sun ◽  
Yee Kan Koh ◽  
Jun Lu ◽  
...  
Keyword(s):  
Thin Film ◽  
Thermal Conductivity ◽  
First Principles ◽  
Film Growth ◽  
Thin Film Growth ◽  
First Principles Calculations ◽  
Phonon Thermal Conductivity ◽  
Scandium Nitride

First-principles study of initial stage of Ni thin-film growth on a TiO2 (110) surface

1999 ◽  
Vol 14 (9) ◽  
pp. 3684-3689 ◽  
Author(s):  
P. L. Cao ◽  
D. E. Ellis ◽  
V. P. Dravid
Keyword(s):  
Thin Film ◽  
First Principles ◽  
Density Functional ◽  
Film Growth ◽  
Thin Film Growth ◽  
Covalent Character ◽  
Functional Theory ◽  
Bonding Structure ◽  
Initial Stage ◽  
Low Coverage

The bonding structure and binding character for the initial stage of thin-film growth of Ni on a rutile (110) surface were studied using first-principles density functional theory. Our results show that, in the first monolayer, Ni atoms are preferentially adsorbed on top of bridging oxygen atoms and upon secondary surface oxygen. The bond strength between Ni adatom and substrate is much stronger than that between Ni adatoms. About 0.3 electrons are transferred from Ni atoms to substrate in low coverage; the adsorption of additional Ni atoms on neighboring sites decreases this transfer. In addition to the ionic bonding component, some covalent character is found in the Ni adatom–substrate bond.

scholarly journals Thin film growth of heavy fermion chiral magnet YbNi3Al9

2021 ◽  
Vol 118 (10) ◽  
pp. 102402
Author(s):  
Hiroaki Shishido ◽  
Akira Okumura ◽  
Tatsuya Saimyoji ◽  
Shota Nakamura ◽  
Shigeo Ohara ◽  
...  
Keyword(s):  
Thin Film ◽  
Heavy Fermion ◽  
Film Growth ◽  
Thin Film Growth

scholarly journals First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
S. Menouer ◽  
O. Miloud Abid ◽  
A. Benzair ◽  
A. Yakoubi ◽  
H. Khachai ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermodynamic Properties ◽  
Ground State ◽  
First Principles ◽  
Essential Role ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rare Earth Compounds ◽  
First Principles Calculations ◽  
Antiferromagnetic Ground State

AbstractIn recent years the intermetallic ternary RE2MgGe2 (RE = rare earth) compounds attract interest in a variety of technological areas. We therefore investigate in the present work the structural, electronic, magnetic, and thermodynamic properties of Nd2MgGe2 and Gd2MgGe2. Spin–orbit coupling is found to play an essential role in realizing the antiferromagnetic ground state observed in experiments. Both materials show metallicity and application of a Debye-Slater model demonstrates low thermal conductivity and little effects of the RE atom on the thermodynamic behavior.

Radical-triggered cross-linking for molecular layer deposition of SiAlCOH hybrid thin films

2021 ◽  
Author(s):  
Kristina Ashurbekova ◽  
Karina Ashurbekova ◽  
Iva Saric ◽  
Evgeny Modin ◽  
Mladen Petravic ◽  
...  
Keyword(s):  
Thin Film ◽  
Film Growth ◽  
Molecular Layer ◽  
Thin Film Growth ◽  
Cross Linking ◽  
Layer By Layer ◽  
Molecular Layer Deposition ◽  
Layer Deposition ◽  
Hybrid Thin Films ◽  
Enhanced Stability

We developed a thin film growth with a radical-initiated cross-linking of vinyl groups in a layer-by-layer manner via molecular layer deposition (MLD). The cross-linked film exhibited improved properties like 12% higher density and enhanced stability compared to the non-cross-linked film.

Atomic Layer Deposition of Chalcogenides for Next-Generation Phase Change Memory

2021 ◽  
Author(s):  
Yoon Kyeung Lee ◽  
Chanyoung Yoo ◽  
Woohyun Kim ◽  
Jeongwoo Jeon ◽  
Cheol Seong Hwang
Keyword(s):  
Thin Film ◽  
Atomic Layer Deposition ◽  
Film Growth ◽  
Phase Change Memory ◽  
Film Surface ◽  
Atomic Layer ◽  
Thin Film Growth ◽  
Growth Technique ◽  
Layer Deposition ◽  
Change Memory

Atomic layer deposition (ALD) is a thin film growth technique that uses self-limiting, sequential reactions localized at the growing film surface. It guarantees exceptional conformality on high-aspect-ratio structures and controllability...

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