Electronic structure, phase stability and resistivity of hybrid hexagonal Cx(BN)1−x two-dimensional nanomaterial: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2015.01.026 ◽

2015 ◽

Vol 69 ◽

pp. 138-144 ◽

Cited By ~ 9

Author(s):

Ransell D'Souza ◽

Sugata Mukherjee

Keyword(s):

Electronic Structure ◽

Phase Stability ◽

First Principles ◽

Two Dimensional ◽

First Principles Study ◽

Structure Phase

Download Full-text

First-principles study on electronic structure, phase stability, and optical properties of In2X2O7 (X═C, Si, Ge or Sn)

Thin Solid Films ◽

10.1016/j.tsf.2011.04.221 ◽

2011 ◽

Vol 519 (19) ◽

pp. 6561-6567 ◽

Cited By ~ 7

Author(s):

S.Zh. Karazhanov ◽

P. Ravindran ◽

U. Grossner

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Phase Stability ◽

First Principles ◽

First Principles Study ◽

Structure Phase

Download Full-text

First-principles study on the electronic structure, magnetic properties and phase stability of alloyed cementite with Cr or Mn

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2010.11.067 ◽

2011 ◽

Vol 323 (7) ◽

pp. 915-919 ◽

Cited By ~ 27

Author(s):

Z.Q. Lv ◽

W.T. Fu ◽

S.H. Sun ◽

X.H. Bai ◽

Y. Gao ◽

...

Keyword(s):

Magnetic Properties ◽

Electronic Structure ◽

Phase Stability ◽

First Principles ◽

First Principles Study ◽

Alloyed Cementite

Download Full-text

First-principles study on phase stability and physical properties of B-site ordered Nd2FeCrO6 double perovskite

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03523a ◽

2021 ◽

Author(s):

Md. Didarul Islam Bhuyan ◽

Rana Hossain ◽

Ferdous Ara ◽

Mohammed Abdul Basith

Keyword(s):

Electronic Structure ◽

Physical Properties ◽

Structural Stability ◽

Phase Stability ◽

Ground State ◽

First Principles ◽

Magnetic Behavior ◽

Double Perovskite ◽

First Principles Study

Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_2$CrFeO$_6$ have been reported. Initially, the ground state of the parent single...

Download Full-text

Electronic structure of bismuth telluride quasi-two-dimensional crystal: A first principles study

Applied Physics Letters ◽

10.1063/1.3556654 ◽

2011 ◽

Vol 98 (8) ◽

pp. 083113 ◽

Cited By ~ 13

Author(s):

Xin Li ◽

Hao Ren ◽

Yi Luo

Keyword(s):

Electronic Structure ◽

Bismuth Telluride ◽

First Principles ◽

Two Dimensional ◽

First Principles Study ◽

Dimensional Crystal

Download Full-text

Electronic structure, phase stability, and hardness of the osmium borides, carbides, nitrides, and oxides: First-principles calculations

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2008.03.008 ◽

2008 ◽

Vol 69 (8) ◽

pp. 2096-2102 ◽

Cited By ~ 50

Author(s):

Miao Zhang ◽

Mei Wang ◽

Tian Cui ◽

Yanming Ma ◽

Yingli Niu ◽

...

Keyword(s):

Electronic Structure ◽

Phase Stability ◽

First Principles ◽

First Principles Calculations ◽

Structure Phase ◽

Osmium Borides

Download Full-text

First-principles study of the influence of doping elements on phase stability, crystal and electronic structure of Al 2 Cu ( θ ) phase

Computational Materials Science ◽

10.1016/j.commatsci.2015.09.049 ◽

2016 ◽

Vol 111 ◽

pp. 328-333 ◽

Cited By ~ 10

Author(s):

Jianglong Gu ◽

Jing Bai ◽

Yu Zhu ◽

Yi Qin ◽

Huimin Gu ◽

...

Keyword(s):

Electronic Structure ◽

Phase Stability ◽

First Principles ◽

First Principles Study ◽

Crystal And Electronic Structure

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

Prediction of spin–orbital coupling effects on the electronic structure of two dimensional van der Waals heterostructures

Physical Chemistry Chemical Physics ◽

10.1039/c5cp05068e ◽

2015 ◽

Vol 17 (46) ◽

pp. 31253-31259 ◽

Cited By ~ 14

Author(s):

Baiqing You ◽

Xiaocha Wang ◽

Wenbo Mi

Keyword(s):

Electronic Structure ◽

First Principles ◽

2D Materials ◽

Van Der Waals ◽

Two Dimensional ◽

Coupling Effects ◽

Van Der Waals Heterostructures ◽

Spin Orbital ◽

First Principles Study ◽

Spin Orbital Coupling

We report a first-principles study on the electronic structure of van der Waals (vdW) heterostructures consisting of two dimensional (2D) materials.

Download Full-text

A first-principles study of electronic structure and photocatalytic performance of two-dimensional van der Waals MTe2–As (M = Mo, W) heterostructures

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.07.052 ◽

2020 ◽

Vol 45 (51) ◽

pp. 27089-27097 ◽

Cited By ~ 1

Author(s):

Nasir Shehzad ◽

Ismail Shahid ◽

Sai Yao ◽

Sheraz Ahmad ◽

Anwar Ali ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

Photocatalytic Performance ◽

Van Der Waals ◽

Two Dimensional ◽

First Principles Study

Download Full-text

Highly Two-dimensional Electronic Structure and Strong Fermi-Surface Nesting of the Iron-Based Superconductor Sr2ScFePO3: A First-Principles Study

Journal of the Physical Society of Japan ◽

10.1143/jpsj.79.013705 ◽

2010 ◽

Vol 79 (1) ◽

pp. 013705 ◽

Cited By ~ 7

Author(s):

Hiroki Nakamura ◽

Masahiko Machida

Keyword(s):

Electronic Structure ◽

Fermi Surface ◽

First Principles ◽

Two Dimensional ◽

First Principles Study ◽

Fermi Surface Nesting ◽

Iron Based

Download Full-text