Defect complexes in Ti-doped sapphire: A first principles study

L. Yu. Kravchenko; D. V. Fil

doi:10.1063/1.5002532

Defect complexes in Ti-doped sapphire: A first principles study

Journal of Applied Physics ◽

10.1063/1.5002532 ◽

2018 ◽

Vol 123 (2) ◽

pp. 023104 ◽

Cited By ~ 7

Author(s):

L. Yu. Kravchenko ◽

D. V. Fil

Keyword(s):

First Principles ◽

Defect Complexes ◽

First Principles Study

Download Full-text

First-Principles Study on Native Defect Complexes in InN

Communications in Theoretical Physics ◽

10.1088/0253-6102/53/1/30 ◽

2010 ◽

Vol 53 (1) ◽

pp. 145-148 ◽

Cited By ~ 1

Author(s):

Zhao Feng-Qi ◽

Shi Jun-Jie ◽

Yang Mao

Keyword(s):

First Principles ◽

Native Defect ◽

Defect Complexes ◽

First Principles Study

Download Full-text

First-principles study of substitutional carbon pair and Stone–Wales defect complexes in boron nitride nanotubes

Chemical Physics Letters ◽

10.1016/j.cplett.2011.12.001 ◽

2012 ◽

Vol 522 ◽

pp. 79-82 ◽

Cited By ~ 17

Author(s):

Gunn Kim ◽

Jinwoo Park ◽

Suklyun Hong

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Defect Complexes ◽

First Principles Study ◽

Wales Defect

Download Full-text

First-principles Study of the Impact of Hydrogen Passivation on the Charge State Transition Levels of the CiOi(Sii)n Defect Complexes in Silicon

Silicon ◽

10.1007/s12633-019-00367-3 ◽

2020 ◽

Vol 12 (11) ◽

pp. 2699-2704

Author(s):

Abdulgaffar Abdurrazaq ◽

Abdulrafiu T. Raji ◽

Walter E. Meyer

Keyword(s):

Charge State ◽

First Principles ◽

State Transition ◽

Hydrogen Passivation ◽

Defect Complexes ◽

First Principles Study ◽

The Impact

Download Full-text

First-principles study of intrinsic defects, dopants and dopant-defect complexes in LiBH4

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(11)61378-2 ◽

2012 ◽

Vol 22 (7) ◽

pp. 1717-1722 ◽

Cited By ~ 6

Author(s):

Guo-ying ZHANG ◽

Gui-li LIU ◽

Hui ZHANG

Keyword(s):

First Principles ◽

Intrinsic Defects ◽

Defect Complexes ◽

First Principles Study

Download Full-text

FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

Download Full-text

INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

Download Full-text

First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

Download Full-text

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

Download Full-text

Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

Download Full-text

Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

Download Full-text