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We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

材料科学 · 物理学 2025-08-20 Kulbhushan Mishra , Shishir Kumar Pandey , S. Chaudhuri , Rajeev Rawat , P. A. Bhobe

Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…

By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of external pressure. Considering several magnetic configurations we concluded that the…

材料科学 · 物理学 2012-12-17 Y. O. Kvashnin , S. Khmelevskyi , J. Kudrnovský , A. N. Yaresko , L. Genovese , P. Bruno

We study the magnetic field driven metal-to-insulator transition in half-filled Hubbard model on the Bethe lattice, using the dynamical mean-field theory by solving the quantum impurity problem with density-matrix renormalization group…

强关联电子 · 物理学 2017-09-13 W. Zhu , D. N. Sheng , Jian-Xin Zhu

We present a study of the magnetocaloric effect in metallic systems exhibiting first-order magnetic transitions and focus on consequences of magnetic phase separation. We account for ferrimagnetic, ferromagnetic, and Neel antiferromagnetic…

强关联电子 · 物理学 2021-07-22 V. V. Ivchenko , P. A. Igoshev

The results of magnetic susceptibility, electrical resistivity (rho), and heat capacity measurements as a function of temperature are reported for the alloys, Ce2Rh(1-x)Co(x)Si3, crystallizing in an AlB2-derived hexagonal strcture. Ce2RhSi3…

强关联电子 · 物理学 2008-03-06 Swapnil Patil , Kartik K Iyer , K. Maiti , E. V. Sampathkumaran

This study conducts a comprehensive first-principles investigation of the IrMnAl Heusler alloy, highlighting its magnetic properties and assessing the effects of pressure-induced phase shift. The limitations of Generalized Gradient…

材料科学 · 物理学 2024-10-11 Himanshu Joshi , Amel Laref , A. Yvaz , Dibya. P. Rai

We report results of magnetization, zero field resistivity and magnetoresistance measurements in ferromagnetic Heusler alloy Co$_2$TiSn. There is a striking change in the character of electron transport as the system undergoes the…

材料科学 · 物理学 2009-11-11 S. Majumdar , M. K. Chattopadhyay , V. K. Sharma , K. J. S. Sokhey , S. B. Roy , P. Chaddah

We have investigated the antiferromagnetic phase of the 2D, the 3D and the extended Hubbard models on a bipartite cubic lattice by means of the Composite Operator Method within a two-pole approximation. This approach yields a fully…

强关联电子 · 物理学 2009-09-25 Adolfo Avella , Ferdinando Mancini , Roland Muenzner

The structural, electronic, and magnetic properties of half-Heusler alloys CKMg and SiKMg are studied by using first-principle density functional theory. The calculations reveal the SiKMg alloy is a half-metallic ferromagnet with the…

材料科学 · 物理学 2015-06-11 Gang Lei , Xiao-Xiong Liu , Lei Li , Qiang Gao , Xian-Ru Hu , Jian-bo Deng

Novel Ni-Co-Mn-Ti all-d-metal Heusler alloys are exciting due to large multicaloric effects combined with enhanced mechanical properties. An optimized heat treatment for a series of these compounds leads to very sharp phase transitions in…

We theoretically study photoinduced magnetic phase transitions and their dynamical processes in the Kondo-lattice model on a cubic lattice. It is demonstrated that light irradiation gives rise to magnetic phase transitions from the…

强关联电子 · 物理学 2025-04-18 Ryo Hamano , Masahito Mochizuki

The electronic and magnetic bulk properties of half-metallic Heusler alloys such as Co$_{2}$FeSi, Co$_{2}$FeAl, Co$_{2}$MnSi and Co$_{2}$MnAl are investigated by means of {\em ab initio} calculations in combination with Monte Carlo…

材料科学 · 物理学 2013-11-11 Denis Comtesse , Benjamin Geisler , Peter Entel , Peter Kratzer , László Szunyogh

Low-temperature ($T$) thermodynamic properties in magnetic fields ($B$) of the quasi-Kagome antiferromagnet CePdAl ($T_{\rm N}\sim$ 2.7 K) were studied by means of magnetization and specific-heat $C(T,B)$ measurements. The unusual magnetic…

We consider a two-dimensional quantum spin system described by a Heisenberg model that is embedded in a three-dimensional metal. The two systems couple via an antiferromagnetic Kondo interaction. In such a setup, the ground state…

强关联电子 · 物理学 2023-10-10 Zi Hong Liu , Bernhard Frank , Lukas Janssen , Matthias Vojta , Fakher F. Assaad

We here show by first principles theory that it is possible to achieve a structural and magnetic phase transition in common steel alloys like Fe$_{85}$Cr$_{15}$, by alloying with Ni or Mn. The predicted phase transition is from the…

材料科学 · 物理学 2012-01-23 P. Souvatzis , E. K. Delczeg-Czirjak , L. Vitos , O. Eriksson

Non-quasiparticle (incoherent) states which play an important role in the electronic structure of half-metallic ferromagnets (HMF) are investigated consistently in the case of antiferromagnetic $s-d(f)$ exchange interaction. Their…

强关联电子 · 物理学 2017-01-25 V. Yu. Irkhin

Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and…

材料科学 · 物理学 2025-10-28 Haireguli Aihemaiti , Esmat Dastanpour , Anders Bergman , Levente Vitos

We examine the nature of the transition to the antiferromagnetically ordered state in the half-filled three-dimensional Hubbard model using the dual-fermion multiscale approach. Consistent with analytics, in the weak-coupling regime we find…

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…

材料科学 · 物理学 2007-05-23 B. R. K. Nanda , I. Dasgupta