NDLI: A new empirical interatomic potential for compound semiconductors and its application to thermodynamic stabilities

Content Provider	IEEE Xplore Digital Library
Author	Kangawa, Y. Ito, T.
Copyright Year	2000
Description	Author affiliation: Comput. Center, Gakushuin Univ., Tokyo, Japan (Kangawa, Y.)
Abstract	We proposed a new empirical interatomic potential for compound semiconductors applicable to estimation of subtle energy difference. The potential was devised to incorporate the interactions between atoms beyond 3rd neighbors by considering electrostatic contributions. The versatility of the potential was confirmed by the calculation of relative stabilities between wurtzite and zinc blende structures. Using the new potential, we also worked out the excess energies for In/sub x/Ga/sub 1-x/N/GaN and In/sub x/Ga/sub 1-x/N/InN in order to investigate thermodynamic stabilities. We found that the excess energy maximum drastically shifted toward x/spl sim/0.80 for InGaN/GaN and x/spl sim/0.10 for InGaN/InN due to the lattice constraint from the bottom layer in contrast with x/spl sim/0.50 for bulk.
Starting Page	173
Ending Page	178
File Size	290213
Page Count	6
File Format	PDF
ISBN	0780362586
DOI	10.1109/ISCS.2000.947149
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2000-10-02
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Electrostatics Bonding Thermodynamics Gallium nitride Microstructure Application software Zinc Thermal stability Physics Power engineering and energy
Content Type	Text
Resource Type	Article

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in