Alloy-stabilized semiconducting and magnetic zinc-blende phase of MnTe

Journal Article · Mon Jun 02 00:00:00 EDT 1986 · Phys. Rev. Lett.; (United States)

DOI:https://doi.org/10.1103/PhysRevLett.56.2391· OSTI ID:5459062

Wei, S; Zunger, A

While MnTe has the stable NiAs structure with a direct band gap of 1.30 eV and a Mn-Te bond length of 2.92 A-circle, extrapolation of the data for the zinc-blende alloy Cd/sub 1-//sub x-italic/Mn/sub x-italic/Te to x-italic = 1 suggests an alloy-stabilized MnTe phase with very different properties: a band gap of --3 eV and a Mn-Te bond length of 2.73 A-circle. We model the structural, magnetic, and electronic properties of such a hitherto unknown zinc-blende-like MnTe phase through spin-polarized total-energy calculations, and report its unusual properties in both ferromagnetic and antiferromagnetic spin ordering.

• Research Organization: Solar Energy Research Institute, Golden, Colorado 80401
• DOE Contract Number: AC02-77CH00178
• OSTI ID: 5459062
• Journal Information: Phys. Rev. Lett.; (United States), Journal Name: Phys. Rev. Lett.; (United States) Vol. 56:22; ISSN PRLTA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
360603 -- Materials-- Properties
ALLOYS
ANTIFERROMAGNETISM
BOND LENGTHS
CHALCOGENIDES
CRYSTAL MODELS
DIMENSIONS
ELECTRICAL PROPERTIES
ENERGY GAP
ENERGY SYSTEMS
FERROMAGNETISM
LENGTH
MAGNETIC PROPERTIES
MAGNETISM
MANGANESE COMPOUNDS
MANGANESE TELLURIDES
MATHEMATICAL MODELS
ORIENTATION
PHASE STUDIES
PHYSICAL PROPERTIES
SPIN ORIENTATION
STABILIZATION
TELLURIDES
TELLURIUM COMPOUNDS
TOTAL ENERGY SYSTEMS
TRANSITION ELEMENT COMPOUNDS