First-principles study of elastic and electronic properties of several ternary transition-metal carbides

Yang Tian-Xing;  Cheng Qiang;  Xu Hong-Bin;  Wang Yuan-Xu

doi:10.7498/aps.59.4919

First-principles study of elastic and electronic properties of several ternary transition-metal carbides

Acta Physica Sinica ◽

10.7498/aps.59.4919 ◽

2010 ◽

Vol 59 (7) ◽

pp. 4919

Author(s):

Yang Tian-Xing ◽

Cheng Qiang ◽

Xu Hong-Bin ◽

Wang Yuan-Xu

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text

First Principles Study of Structural Stability and Electronic Structure of 4d Transition Metal Carbides TMC2 (TM= Ru, Rh, Pd)

IOSR Journal of Applied Physics ◽

10.9790/4861-17002023841 ◽

2017 ◽

Vol 02 (01) ◽

pp. 38-41

Author(s):

M. Manikandan ◽

M. Santhosh ◽

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text

First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides

Physical Review B ◽

10.1103/physrevb.77.180507 ◽

2008 ◽

Vol 77 (18) ◽

Cited By ~ 24

Author(s):

Jesse Noffsinger ◽

Feliciano Giustino ◽

Steven G. Louie ◽

Marvin L. Cohen

Keyword(s):

Transition Metal ◽

Fermi Surface ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study ◽

Fermi Surface Nesting

Download Full-text

First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li–O2 batteries

Physical Chemistry Chemical Physics ◽

10.1039/c8cp06745g ◽

2018 ◽

Vol 20 (48) ◽

pp. 30231-30238 ◽

Cited By ~ 3

Author(s):

Yingying Yang ◽

Yuelin Wang ◽

Man Yao ◽

Xudong Wang ◽

Hao Huang

Keyword(s):

Catalytic Activity ◽

Transition Metal ◽

First Principles ◽

First Principles Calculations ◽

Metal Carbides ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

First Principles Study ◽

Early Transition

A series of early transition-metal carbides (TMCs) in the NaCl structure have been constructed to compare the catalytic activity in Li–O2 batteries by first-principles calculations.

Download Full-text

First-principles study of transition metal carbides

Materials Research Express ◽

10.1088/2053-1591/3/12/126502 ◽

2016 ◽

Vol 3 (12) ◽

pp. 126502 ◽

Cited By ~ 10

Author(s):

Damien Connétable

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text

Structural, elastic and electronic properties of transition metal carbides TMC (TM=Ti, Zr, Hf and Ta) from first-principles calculations

Solid State Communications ◽

10.1016/j.ssc.2011.02.005 ◽

2011 ◽

Vol 151 (8) ◽

pp. 602-606 ◽

Cited By ~ 54

Author(s):

Hui Li ◽

Litong Zhang ◽

Qingfeng Zeng ◽

Kang Guan ◽

Kaiyuan Li ◽

...

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

First Principles Calculations ◽

Metal Carbides ◽

Transition Metal Carbides

Download Full-text

Elastic, thermochemical and thermophysical properties of rock salt-type transition metal carbides and nitrides: A first principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2013.10.156 ◽

2014 ◽

Vol 587 ◽

pp. 380-386 ◽

Cited By ~ 29

Author(s):

G. Sai Gautam ◽

K.C. Hari Kumar

Keyword(s):

Transition Metal ◽

Rock Salt ◽

Thermophysical Properties ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

Type Transition ◽

First Principles Study

Download Full-text

First Principles Study of the Interfaces Between Tungsten and Transition Metal Carbides: Structures, Energetic and Light Elements Trapping

SSRN Electronic Journal ◽

10.2139/ssrn.3358869 ◽

2019 ◽

Author(s):

Xuebang Wu ◽

X. Zhang ◽

Z.M. Xie ◽

Xiangyan Li ◽

C.R. Miranda ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

Light Elements ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text

First-principles study of the structural, vibrational, phonon and thermodynamic properties of transition metal carbides TMC (, Zr and Hf)

Solid State Communications ◽

10.1016/j.ssc.2010.08.034 ◽

2011 ◽

Vol 151 (1) ◽

pp. 61-66 ◽

Cited By ~ 27

Author(s):

Hui Li ◽

Litong Zhang ◽

Qingfeng Zeng ◽

Haitao Ren ◽

Kang Guan ◽

...

Keyword(s):

Transition Metal ◽

Thermodynamic Properties ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text

First-Principles Study of the Surface Electronic Structures of Transition Metal Carbides

Japanese Journal of Applied Physics ◽

10.1143/jjap.39.4311 ◽

2000 ◽

Vol 39 (Part 1, No. 7B) ◽

pp. 4311-4314 ◽

Cited By ~ 37

Author(s):

Kazuaki Kobayashi

Keyword(s):

Transition Metal ◽

First Principles ◽

Electronic Structures ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text

First-Principles Study of the Interfaces between Fe and Transition Metal Carbides

The Journal of Physical Chemistry C ◽

10.1021/jp306859n ◽

2012 ◽

Vol 117 (1) ◽

pp. 187-193 ◽

Cited By ~ 10

Author(s):

Na-Young Park ◽

Jung-Hae Choi ◽

Pil-Ryung Cha ◽

Woo-Sang Jung ◽

Soon-Hyo Chung ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

Download Full-text