Published March 2010
| Version v1
Journal article
Lattice and magnetism in superconducting compounds Ca1−xKxFe2As2
Creators
- 1. School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China)
- 2. Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Southwest Jiaotong University, Chengdu 610031 (China)
Description
Based on the density functional theory (DFT), using the scheme of the linearized augmented plane wave and the improved local orbital (APW + lo), the structure, the electronic bands and the magnetism of superconducting compounds Ca1−xKxFe2As2 (x = 0, 0.25, 0.5, 0.75, 1) are optimized and calculated. The calculation results indicate that with K-doping the lengths of the a, b axes can decrease, and the length of the c axis, the volume, the energy of spin-down valence bands, and the DOS at the Fermi level can increase, which leads the magnetic moment of the system to increase
Availability note (English)
Available from http://dx.doi.org/10.1088/1674-1056/19/3/037401Additional details
Identifiers
Publishing Information
- Journal Title
- Chinese Physics. B
- Journal Volume
- 19
- Journal Issue
- 3
- Journal Page Range
- [5 p.]
- ISSN
- 1674-1056
INIS
- Country of Publication
- China
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45009850
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- CALCIUM COMPOUNDS; CONCENTRATION RATIO; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; FERMI LEVEL; IRON ARSENIDES; MAGNETIC MOMENTS; MAGNETISM; POTASSIUM COMPOUNDS; SPIN; SUPERCONDUCTORS; VALENCE; WAVE PROPAGATION
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ALKALINE EARTH METAL COMPOUNDS; ANGULAR MOMENTUM; ARSENIC COMPOUNDS; ARSENIDES; CALCULATION METHODS; DIMENSIONLESS NUMBERS; ENERGY LEVELS; IRON COMPOUNDS; PARTICLE PROPERTIES; PNICTIDES; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS