Quaternary Heusler alloys MnCrTiZ(Z=Al , As) investigates their structural stability opto-electronic features and magnetic.
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Date
2025-06-18
Journal Title
Journal ISSN
Volume Title
Publisher
UNIVERSITE MOHAMED BOUDIAF - M’SILA
Abstract
The results obtained by the authors align with existing data in the current literature. The
computed electronic band structure reveals that the material is a semiconductor with a direct band
gap of 1.72 eV. Additionally, the material exhibits a high absorption coefficient (>104 cm−1). The
static dielectric constant and static refractive index were determined to be 6 and 2.45, respectively.
The investigated properties of MnCrTiZ (Z=Al, As) suggest that it could be a promising candidate
for optoelectronic and photovoltaic applications These optical properties enhance its potential for
solar energy conversion.
This study indicated that MnCrTiZ (Z=Al, As) compounds are stable in the B1 (NaCl-type) phase
under hydrostatic pressure. These compounds undergo a phase transition to the CsCl (B2) phase and
a further transition from the B1 (NaCl) phase to the L10 (tetragonal) phase. The electronic properties
show that these materials are half-metals in the B1 (NaCl) phase. The magnetic moment is equal to
2μB