First-principles investigation of the structural, mechanical and electronic properties of the NbO-structured 3d, 4d and 5d transition metal nitrides

Structural, mechanical and electronic properties of 3d transition metal nitrides in cubic zincblende, rocksalt and cesium chloride structures: a first-principles investigation

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/26/2/025404 ◽

2013 ◽

Vol 26 (2) ◽

pp. 025404 ◽

Cited By ~ 53

Author(s):

Z T Y Liu ◽

X Zhou ◽

S V Khare ◽

D Gall

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Cesium Chloride ◽

Metal Nitrides ◽

Structural stability, phase transition, and mechanical and electronic properties of transition metal nitrides MN (M=Tc, Re, Os, and Ir): First-principles calculations

Computational Materials Science ◽

10.1016/j.commatsci.2012.01.005 ◽

2012 ◽

Vol 56 ◽

pp. 116-121 ◽

Cited By ~ 14

Author(s):

Yachun Wang ◽

Tiankai Yao ◽

Hui Li ◽

Jie Lian ◽

Jihui Li ◽

...

Keyword(s):

Phase Transition ◽

Transition Metal ◽

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

Metal Nitrides ◽

First Principles Calculations ◽

Trends in elasticity and electronic structure of transition-metal nitrides and carbides from first principles

Physical Review B ◽

10.1103/physrevb.71.214103 ◽

2005 ◽

Vol 71 (21) ◽

Cited By ~ 157

Author(s):

Zhigang Wu ◽

Xiao-Jia Chen ◽

Viktor V. Struzhkin ◽

Ronald E. Cohen

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Metal Nitrides ◽

First principles study of structural and magnetic properties of transition metal nitrides TMN (TM = Cr, Mn)

Phase Transitions ◽

10.1080/01411594.2016.1278447 ◽

2017 ◽

Vol 90 (9) ◽

pp. 894-904 ◽

Cited By ~ 2

Author(s):

R. Rajeswarapalanichamy ◽

A. Amudhavalli ◽

M. Manikandan ◽

M. Kavitha ◽

K. Iyakutti

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Metal Nitrides ◽

Structural And Magnetic Properties

First Principles Study ◽

Super hard cubic phases of period VI transition metal nitrides: First principles investigation

Thin Solid Films ◽

10.1016/j.tsf.2008.07.034 ◽

2008 ◽

Vol 517 (2) ◽

pp. 824-827 ◽

Cited By ~ 57

Author(s):

S.K.R. Patil ◽

N.S. Mangale ◽

S.V. Khare ◽

S. Marsillac

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Nitrides ◽

Cubic Phases

Electronic properties of transition-metal nitrides: The group-V and group-VI nitrides VN, NbN, TaN, CrN, MoN, and WN

Physical Review B ◽

10.1103/physrevb.31.752 ◽

1985 ◽

Vol 31 (2) ◽

pp. 752-761 ◽

Cited By ~ 226

Author(s):

D. A. Papaconstantopoulos ◽

W. E. Pickett ◽

B. M. Klein ◽

L. L. Boyer

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

Metal Nitrides ◽

Group Vi ◽

Group V

A First Principles Calculation of the Coherent Interface Energies between Group IV Transition Metal Nitrides and bcc Iron

Korean Journal of Materials Research ◽

10.3740/mrsk.2006.16.8.473 ◽

2006 ◽

Vol 16 (8) ◽

pp. 473-478 ◽

Cited By ~ 2

Author(s):

Soon-Hyo Chung ◽

Woo-Sang Jung ◽

Ji-Young Byun

Keyword(s):

Transition Metal ◽

First Principles ◽

Group Iv ◽

First Principles Calculation ◽

Metal Nitrides ◽

Coherent Interface ◽

Bcc Iron

Growth structure and electronic properties of ternary transition metal nitrides thin films

10.12681/eadd/25119 ◽

2010 ◽

Author(s):

Λουκάς Κουτσοκέρας

Keyword(s):

Thin Films ◽

Transition Metal ◽

Electronic Properties ◽

Metal Nitrides ◽

Growth Structure

Electronic properties of binary and ternary, hard and refractory transition metal nitrides

Surface and Coatings Technology ◽

10.1016/j.surfcoat.2009.10.046 ◽

2010 ◽

Vol 204 (12-13) ◽

pp. 2038-2041 ◽

Cited By ~ 11

Author(s):

L.E. Koutsokeras ◽

N. Hastas ◽

S. Kassavetis ◽

O. Valassiades ◽

C. Charitidis ◽

...

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

Metal Nitrides ◽

First-principles study of transition-metal nitrides as diffusion barriers against Al

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2015.10.048 ◽

2016 ◽

Vol 471 ◽

pp. 208-213 ◽

Cited By ~ 4

Author(s):

Zhi-Gang Mei ◽

Abdellatif M. Yacout ◽

Yeon Soo Kim ◽

Gerard Hofman ◽

Marius Stan

Keyword(s):

Transition Metal ◽

First Principles ◽

Diffusion Barriers ◽

Metal Nitrides ◽

First Principles Study