A FIRST-PRINCIPLES STUDY ON THE ELECTRONIC STRUCTURE OF THE FIRST TRANSITION METAL PHTHALOCYANINES

LI QUN-XIANG;  YANG JIN-LONG;  LI ZHEN-YU;  HOU JIAN-GUO;  ZHU QING-SHI

doi:10.7498/aps.50.1877

A FIRST-PRINCIPLES STUDY ON THE ELECTRONIC STRUCTURE OF THE FIRST TRANSITION METAL PHTHALOCYANINES

Acta Physica Sinica ◽

10.7498/aps.50.1877 ◽

2001 ◽

Vol 50 (10) ◽

pp. 1877

Author(s):

LI QUN-XIANG ◽

YANG JIN-LONG ◽

LI ZHEN-YU ◽

HOU JIAN-GUO ◽

ZHU QING-SHI

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Metal Phthalocyanines ◽

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 electronic structure of transition metal nitride: ReN under normal and high pressure

Physica B Condensed Matter ◽

10.1016/j.physb.2011.05.046 ◽

2011 ◽

Vol 406 (17) ◽

pp. 3303-3307 ◽

Cited By ~ 6

Author(s):

A.T. Asvini meenaatci ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

High Pressure ◽

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Metal Nitride ◽

Transition Metal Nitride ◽

First Principles Study

Download Full-text

Twisted MX2/MoS2heterobilayers: effect of van der Waals interaction on the electronic structure

Nanoscale ◽

10.1039/c7nr07746g ◽

2017 ◽

Vol 9 (48) ◽

pp. 19131-19138 ◽

Cited By ~ 24

Author(s):

Ning Lu ◽

Hongyan Guo ◽

Zhiwen Zhuo ◽

Lu Wang ◽

Xiaojun Wu ◽

...

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Van Der Waals ◽

Van Der Waals Interaction ◽

Transition Metal Dichalcogenide ◽

First Principles Study

A comprehensive first-principles study of the electronic properties of twisted 2D transition metal dichalcogenide (TMDC) heterobilayers MX2/MoS2(M = Mo, Cr, W; X = S, Se) with different rotation angles has been performed.

Download Full-text

First principles study on the spin unrestricted electronic structure properties of transition metal doped InN nanoribbons

Superlattices and Microstructures ◽

10.1016/j.spmi.2015.05.004 ◽

2015 ◽

Vol 84 ◽

pp. 170-180 ◽

Cited By ~ 7

Author(s):

S. Caliskan ◽

F. Hazar

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

First Principles Study ◽

Metal Doped ◽

Structure Properties

Download Full-text

Black phosphorene/monolayer transition-metal dichalcogenides as two dimensional van der Waals heterostructures: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c5cp07585h ◽

2016 ◽

Vol 18 (10) ◽

pp. 7381-7388 ◽

Cited By ~ 75

Author(s):

Baiqing You ◽

Xiaocha Wang ◽

Zhida Zheng ◽

Wenbo Mi

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Van Der Waals ◽

Transition Metal Dichalcogenides ◽

Two Dimensional ◽

Van Der Waals Heterostructures ◽

First Principles Study ◽

Black Phosphorene ◽

Metal Dichalcogenides

The electronic structure of black phosphorene/XT2(X = Mo, W; T = S, Se, Te) two dimensional heterostructures is presented using the first-principles method.

Download Full-text

First-principles study on the magnetism and electronic structure in 3d transition metal (X=Sc, V, Cr, Mn, Fe, Ni, Cu) doped CoO

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2015.11.022 ◽

2016 ◽

Vol 77 ◽

pp. 149-155 ◽

Cited By ~ 4

Author(s):

R.X. Liu ◽

X.C. Wang ◽

G.F. Chen ◽

B.H. Yang

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

First Principles Study

Download Full-text

First-principles study of electronic structure and electron energy-loss-spectroscopy (EELS) of transition-metal aluminates as high-k gate dielectrics

Applied Surface Science ◽

10.1016/j.apsusc.2004.08.004 ◽

2005 ◽

Vol 242 (1-2) ◽

pp. 121-128 ◽

Cited By ~ 7

Author(s):

C.B. Samantaray ◽

H. Sim ◽

H. Hwang

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Energy Loss ◽

Electron Energy ◽

Electron Energy Loss Spectroscopy ◽

First Principles ◽

Gate Dielectrics ◽

First Principles Study ◽

High K ◽

Electron Energy Loss

Download Full-text

First-principles study on the electronic structure of bismuth transition-metal oxides

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/16/48/026 ◽

2004 ◽

Vol 16 (48) ◽

pp. S5677-S5683 ◽

Cited By ~ 42

Author(s):

T Shishidou ◽

N Mikamo ◽

Y Uratani ◽

F Ishii ◽

T Oguchi

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study

Download Full-text

Stability and electronic structure of hydrogenated two-dimensional transition metal dichalcogenides: First-principles study

Acta Physica Sinica ◽

10.7498/aps.68.20181597 ◽

2019 ◽

Vol 68 (3) ◽

pp. 037102

Author(s):

Dan Wang ◽

Juan Zou ◽

Li-Ming Tang

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Transition Metal Dichalcogenides ◽

Two Dimensional ◽

First Principles Study ◽

Metal Dichalcogenides

Download Full-text

First-principles study on the electronic structure and optical properties of ZnO doped with transition metal and N

Acta Physica Sinica ◽

10.7498/aps.56.5359 ◽

2007 ◽

Vol 56 (9) ◽

pp. 5359

Author(s):

Duan Man-Yi ◽

Xu Ming ◽

Zhou Hai-Ping ◽

Shen Yi-Bin ◽

Chen Qing-Yun ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

First Principles Study

Download Full-text