Microstructural evolution during film growth

I Petrov, PB Barna, L Hultman… - Journal of Vacuum Science …, 2003 - pubs.aip.org
Atomic-scale control and manipulation of the microstructure of polycrystalline thin films
during kinetically limited low-temperature deposition, crucial for a broad range of industrial …

Polymerization within a molecular-scale stereoregular template

T Serizawa, K Hamada, M Akashi - Nature, 2004 - nature.com
Enzymes efficiently synthesize biopolymers by organizing monomer units within regularly
structured molecular-scale spaces and exploiting weak non-covalent interactions, such as …

Growth, surface morphology, and electrical resistivity of fully strained substoichiometric epitaxial layers on MgO(001)

CS Shin, S Rudenja, D Gall, N Hellgren… - Journal of Applied …, 2004 - pubs.aip.org
We have grown single-crystal NaCl-structure δ-TiN x layers with x ranging from 0.67 to 1.00
on MgO (001) at 700° C by ultra-high-vacuum reactive magnetron sputtering of Ti in mixed …

Growth and mechanical properties of epitaxial NbN (001) films on MgO (001)

K Zhang, K Balasubramanian, BD Ozsdolay… - Surface and Coatings …, 2016 - Elsevier
NbN x layers were deposited by reactive magnetron sputtering on MgO (001) substrates in
0.67 Pa pure N 2 at T s= 600–1000° C. T s≥ 800° C leads to epitaxial layers with a cube-on …

Correlating structure and orbital occupation with the stability and mechanical properties of 3d transition metal carbides

I Khatri, NJ Szymanski, BB Dumre, JG Amar… - Journal of Alloys and …, 2022 - Elsevier
The development of novel transition metal carbides for improved hard coating technologies
requires a detailed understanding of the factors influencing their stability and mechanical …

Two-dimensional island dynamics: Role of step energy anisotropy

S Kodambaka, SV Khare, I Petrov, JE Greene - Surface science reports, 2006 - Elsevier
Studies of surface dynamics, including the kinetics of two-dimensional (2D) island
coarsening/decay, shape fluctuations, and shape evolution, enable determination of the rate …

Investigation of hardness in transition metal hexa-nitrides in cubic structure: A first-principles study

SR Kandel, BB Dumre, D Gall, SV Khare - Journal of Physics and …, 2022 - Elsevier
We have studied all 29 transition metal nitrides (TMNs) of stoichiometric ratio 1: 6 (M: N) in
cubic structure (space group: I m 3‾ m) using density functional theory-based calculations …

Prediction of super hardness in transition metal hexa-nitrides from density functional theory computations

SR Kandel, BB Dumre, D Gall, SV Khare - Materialia, 2022 - Elsevier
Despite several decades of work on enhancing the hardness of transition metal nitrides
(TMNs) for hard coating applications, their experimentally measured Vickers hardness (HV) …

Kinetics of monolayer graphene growth by segregation on Pd (111)

HS Mok, A Ebnonnasir, Y Murata, S Nie… - Applied physics …, 2014 - pubs.aip.org
Using in situ low-energy electron microscopy and density functional theory calculations, we
follow the growth of monolayer graphene on Pd (111) via surface segregation of bulk …

Mechanical and electronic properties of transition metal hexa-nitrides in hexagonal structure from density functional theory calculations

SR Kandel, BB Dumre, D Gall, SV Khare - Computational Materials Science, 2023 - Elsevier
We investigated structural, vibrational, mechanical, electronic, and magnetic properties of all
29 nitrogen-rich transition metal nitrides (TMNs) with a stoichiometric 1: 6 (M: N) ratio in the …