Published 2011
| Version v1
Book
Pressure dependent electronic properties of Be3P2
Creators
- 1. Dept. of Physics, Univ. College of Science, M.L.S. Univ., Udaipur (India)
Description
The first-principles linear combination of atomic orbitals (LCAO) method based on density functional theory implemented in the CRYSTAL code has been applied to compute equilibrium lattice constant, bulk modulus and cohesive energy for the α-Be3P2. Additionally, band structure calculations are performed and effect if pressure is examined on the band gap. The pressure coefficient and volume deformation potential of fundamental band gap are also reported
Additional details
Publishing Information
- Publisher
- Bhabha Atomic Research Centre
- Imprint Place
- Mumbai (India)
- Imprint Title
- Proceedings of the international conference on high pressure science and technology: abstracts
- Imprint Pagination
- 416 p.
- Journal Page Range
- p. 223
Conference
- Title
- 23. international conference on high pressure science and technology
- Acronym
- AIRAPT-23
- Dates
- 25-30 Sep 2011
- Place
- Mumbai (India)
INIS
- Country of Publication
- India
- Country of Input or Organization
- India
- INIS RN
- 43031960
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- BERYLLIUM PHOSPHIDES; C CODES; DENSITY FUNCTIONAL METHOD; LCAO METHOD; PRESSURE DEPENDENCE
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; BERYLLIUM COMPOUNDS; CALCULATION METHODS; COMPUTER CODES; PHOSPHIDES; PHOSPHORUS COMPOUNDS; PNICTIDES; VARIATIONAL METHODS
Optional Information
- Notes
- 8 refs., 1 fig., 1 tab.