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Recent band structure calculations have suggested the potential for band tuning in a chiral semiconductor, Ag$_3$AuTe$_2$, to zero upon application of negative strain. In this study, we report on the synthesis of polycrystalline…

In this work we study the electronic structure of Ag${}_3$AuSe${}_2$ and Ag${}_3$AuTe${}_2$, two chiral insulators whose gap can be tuned through small changes in the lattice parameter by applying hydrostatic pressure or choosing different…

In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…

We have studied the structural and electronic properties of defect chalcopyrite semiconductors AAl2Se4 (A = Ag, Cu, Cd, Zn) using Density Functional Theory (DFT) based first principle technique within Tight binding Linear Muffin Tin orbital…

材料科学 · 物理学 2015-05-20 S. Mishra , B. Ganguli

Temperature dependent measurements of the resistivity on RuIn$_3$ single crystals show a semiconducting behaviour, in contrast to previously published results. In the high temperature range the semiconducting gap was measured to be…

材料科学 · 物理学 2007-08-29 D. Bogdanov , K. Winzer , I. A. Nekrasov , T. Pruschke

We have carried out ab-initio calculation and study of structural and electronic properties of AgAlM2 (M = S, Se, Te) chalcopyrite semiconductors using Density Functional Theory (DFT) based self consistent Tight binding Linear Muffin Tin…

材料科学 · 物理学 2015-05-20 S. Mishra , B. Ganguli

AuBe is a chiral, non-centrosymmetric superconductor with transition temperature $T_C$ $\simeq$ 3.25 K. The broken inversion symmetry in its crystal structure makes AuBe a possible candidate to host a mixed singlet-triplet pairing symmetry…

Intermetallic narrow-gap semiconductors have been intensively explored due to their large thermoelectric power at low temperatures and a possible role of strong electronic correlations in their unusual thermodynamic and transport…

The electronic structures of four semiconductor compounds BaCu2S2, BaCu2Se2, BaAg2S2, and BaAg2Se2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were…

材料科学 · 物理学 2013-09-13 Aditi Krishnapriyan , Phillip T. Barton , Maosheng Miao , Ram Seshadri

High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I ({\beta}-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and…

材料科学 · 物理学 2015-05-01 Zhao Zhao , Shibing Wang , Haijun Zhang , Wendy L. Mao

We report the synthesis and characterization of a Si-based ternary semiconductor Mg$_3$Si$_2$Te$_6$, which exhibits a quasi-two-dimensional structure, where the trigonal Mg$_2$Si$_2$Te$_6$ layers are separated by Mg ions.…

In$_2$Se$_3$ in the three-dimensional (3D) hexagonal crystal structure with space group $P6_1$ ($\gamma$-In$_2$Se$_3$) has a direct band gap of $\sim$1.8 eV and high absorption coefficient, making it a promising semiconductor material for…

Single crystals of CrSbSe$_3$, a structurally pseudo-one-dimensional ferromagnetic semiconductor, were grown using a high-temperature solution growth technique and were characterized by x-ray diffraction, anisotropic, temperature- and…

材料科学 · 物理学 2018-01-24 Tai Kong , Karoline Stolze , Ni Danrui , Satya K. Kushwaha , Robert J. Cava

We perform an in-plane optical spectroscopy measurement on high quality FeSe single crystals grown by a vapor transport technique. Below the structural transition at $T_{\rm s}\sim$90 K, the reflectivity spectrum clearly shows a gradual…

超导电性 · 物理学 2016-07-11 Haipeng Wang , Zirong Ye , Yan Zhang , Nan-Lin Wang

We have found that CeCd$_{3}$P$_{3}$ crystallizes into a hexagonal ScAl$_{3}$C$_{3}$-type structure. The optical, transport and magnetic properties of CeCd$_{3}$P$_{3}$ were investigated by measuring the diffuse reflectance, electrical…

强关联电子 · 物理学 2016-04-15 Shohei Higuchi , Yuki Noshima , Naoki Shirakawa , Masami Tsubota , Jiro Kitagawa

High-quality single crystals of EuAuAs were studied by means of powder x-ray diffraction, magnetization, magnetic susceptibility, heat capacity, electrical resistivity and magnetoresistance measurements. The compound crystallizes with a…

强关联电子 · 物理学 2022-08-23 S. Malick , J. Singh , A. Laha , V. Kanchana , Z. Hossain , D. Kaczorowski

In this paper, we have performed first principles calculations to study optoelectronic, thermodynamic and transport properties of Fe2TiGe using density functional theory (DFT). The semi-classical Boltzmann transport theory is used to…

材料科学 · 物理学 2019-05-07 M. Anwar Hossain , M. A. Al Noman , Md. Taslimur Rahman

We synthesized the ferromagnetic EuAgP semiconductor and conducted a comprehensive study of its crystalline, magnetic, heat capacity, band gap, and magnetoresistance properties. Our investigation utilized a combination of X-ray diffraction,…

强关联电子 · 物理学 2024-09-04 Qian Zhao , Kaitong Sun , Si Wu , Hai-Feng Li

Ga$_2$O$_3$ and (Al$_x$Ga$_{1-x}$)$_2$O$_3$ alloys are promising materials for solar-blind UV photodetectors and high-power transistors. Basic key parameters in the device design, such as band gap variation with alloy composition and band…

材料科学 · 物理学 2018-08-01 Tianshi Wang , Wei Li , Chaoying Ni , Anderson Janotti

Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…

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