Optical properties and plasmonic performance of titanium nitride

P Patsalas, N Kalfagiannis, S Kassavetis - Materials, 2015 - mdpi.com
Titanium nitride (TiN) is one of the most well-established engineering materials nowadays.
TiN can overcome most of the drawbacks of palsmonic metals due to its high electron …

[HTML][HTML] Conductive nitrides: Growth principles, optical and electronic properties, and their perspectives in photonics and plasmonics

P Patsalas, N Kalfagiannis, S Kassavetis… - Materials Science and …, 2018 - Elsevier
The nitrides of most of the group IVb-Vb-VIb transition metals (TiN, ZrN, HfN, VN, NbN, TaN,
MoN, WN) constitute the unique category of conductive ceramics. Having substantial …

Crystal structures and elastic properties of superhard and from first principles

Z Wu, E Zhao, H **ang, X Hao, X Liu, J Meng - Physical Review B …, 2007 - APS
First principles calculations were performed to investigate the structural, elastic, and
electronic properties of Ir N 2 for various space groups: cubic F m-3 m and P a-3, hexagonal …

Thermodynamic routes to novel metastable nitrogen-rich nitrides

W Sun, A Holder, B Orvañanos, E Arca… - Chemistry of …, 2017 - ACS Publications
Compared to oxides, the nitrides are relatively unexplored, making them a promising
chemical space for novel materials discovery. Of particular interest are nitrogen-rich nitrides …

First hafnium-based MAX phase in the 312 family, Hf3AlC2: A first-principles study

M Roknuzzaman, MA Hadi, MA Ali, MM Hossain… - Journal of Alloys and …, 2017 - Elsevier
The ground state physical properties of the newly synthesized 312 MAX compound, Hf 3 AlC
2 have been investigated using the first-principles density functional theory (DFT). The …

Carbides and nitrides of zirconium and hafnium

SV Ushakov, A Navrotsky, QJ Hong, A van de Walle - Materials, 2019 - mdpi.com
Among transition metal carbides and nitrides, zirconium, and hafnium compounds are the
most stable and have the highest melting temperatures. Here we review published data on …

Zirconium nitride: A viable candidate for photonics and plasmonics?

P Patsalas - Thin Solid Films, 2019 - Elsevier
Recently, transition metal nitrides received attention as potential alternative materials for
plasmonics due to their high electron conductivity and mobility, high melting point, chemical …

[HTML][HTML] First-principles calculations to investigate structural, elastic, electronic, optical and thermal properties of La-based ternary intermetallic superconductors …

MA Rahman, R Khatun, R Ferdous, DC Roy… - Journal of Materials …, 2023 - Elsevier
Different physical properties of ternary intermetallic La-based superconducting materials
LaM 2 Si 2 (M= Co, Cu, Rh, Pd, Ag, Ir, Pt, Au) are examined through the self consistent ab …

Hardness of covalent compounds: Roles of metallic component and d valence electrons

X Guo, L Li, Z Liu, D Yu, J He, R Liu, B Xu… - Journal of Applied …, 2008 - pubs.aip.org
Based on the detailed analysis of chemical bonds, we present a Vickers hardness
expression for the covalency-dominant crystals such as transition-metal carbides and …

First-principles study on the electronic and optical properties of BiFeO3

H Wang, Y Zheng, MQ Cai, H Huang… - Solid State …, 2009 - Elsevier
The structural, electronic, and optical properties of multiferroic bismuth ferrite (BiFeO3) are
investigated using density functional theory within generalized gradient approximation …