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High $ZT$ value and large Seebeck coefficient have been reported in the nanostructured Fe-doped Si-Ge alloys. In this work, the large Seebeck coefficient in Fe-doped Si-Ge systems is qualitatively reproduced from the computed electronic…

Materials Science · Physics 2020-12-02 Ryo Yamada , Akira Masago , Tetsuya Fukushima , Hikari Shinya , Tien Quang Nguyen , Kazunori Sato

Group-IV monochalcogenides have recently shown great potential for their thermoelectric, ferroelectric, and other intriguing properties. The electrical properties of group-IV monochalcogenides exhibit a strong dependence on the chalcogen…

SnSe monolayer with orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the…

Computational Physics · Physics 2016-03-17 Qingxia Wang , Weiyang Yu , Xiaonan Fu , Chong Qiao , Congxin Xia , Yu Jia

GeTe is a chemically simple IV-VI semiconductor which bears a rich plethora of different physical properties induced by doping and external stimuli. These include, among others, ferromagnetism, ferroelectricity, phase-change memory…

The influence of a partial substitution with S, Te, Co, Ni and Cu atoms on the electronic structure of the FeSe superconductor has been investigated within the density functional theory. The results of the supercell calculations reveal…

Superconductivity · Physics 2013-08-13 A. Ciechan , M. J. Winiarski , M. Samsel-Czekała

In the recently synthesized Li$_x$(NH$_2$)$_y$(NH$_3$)$_z$Fe$_2$Se$_2$ family of iron chalcogenides a molecular spacer consisting of lithium ions, lithium amide and ammonia separates layers of FeSe. It has been shown that upon variation of…

Superconductivity · Physics 2015-01-16 Daniel Guterding , Harald O. Jeschke , P. J. Hirschfeld , Roser Valenti

Superconductivity in group IV semiconductors is desired for hybrid devices combining both semiconducting and superconducting properties. Following boron doped diamond and Si, superconductivity has been observed in gallium doped Ge, however…

Attaining low resistivity AlGaN layers is the keystone to improve the efficiency of light emitting devices in the ultraviolet spectral range. Here, we present a microstructural analysis of Ge-doped AlGaN samples with Al mole fraction from…

Materials Science · Physics 2021-01-29 C. Bougerol , E. Robin , E. Di Russo , E. Bellet-Amalric , V. Grenier , A. Ajay , L. Rigutti , E. Monroy

Fulfillment of the promise of transparent electronics has been hindered until now largely by the lack of semiconductors that can be doped p-type in a stable way, and that at the same time present high hole mobility and are highly…

Materials Science · Physics 2016-03-01 Nasrin Sarmadian , Rolando Saniz , Bart Partoens , Dirk Lamoen

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

Materials Science · Physics 2025-07-08 Sujoy Datta , Prashant Singh

Engineered $Na_{0.75}CoO_2$ is considered a prime candidate to achieve high-efficiency thermoelectric systems to regenerate electricity from waste heat. In this work, three elements with outmost electronic configurations, (1) an open d…

Chemical Physics · Physics 2019-02-27 M. H. N. Assadi , S. Li , A. B. Yu

We have developed a simple and straightforward way to realize controlled post-doping towards 2D transition metal dichalcogenides (TMDs). The key idea is to use low-kinetic energy dopant beams and a high-flux chalcogen beam at the same time,…

AlFe$_2$B$_2$, a ternary transition metal boride doped with Ag, Ni, Sb, Ga, and Ge was investigated for the phase constituents, microstructure, and thermoelectric properties. The parent compound with 20\% excess Al (Al$_{1.2}$Fe$_2$B$_2$)…

Materials Science · Physics 2025-07-01 D. Sivaprahasam , R. Preyadarshini , Ashutosh Kumar

Two-dimensional (2D) semiconductors are likely to dominate next-generation electronics due to their advantages in compactness and low power consumption. However, challenges such as high contact resistance and inefficient doping hinder their…

Materials Science · Physics 2024-10-11 Raagya Arora , Ariel R. Barr , Daniel T. Larson , Michele Pizzochero , Efthimios Kaxiras

While Si is an effective insertion type anode for Li-ion batteries, crystalline Si has been shown to be unsuitable for Na and Mg storage due, in particular, to insufficient binding strength. It has recently been reported that Si nanowires…

Materials Science · Physics 2016-02-05 Fleur Legrain , Sergei Manzhos

Transition metal dichalcogenides offer unprecedented versatility to engineer 2D materials with tailored properties to explore novel structural and electronic phase transitions. In this work, we present the atomic-scale evolution of the…

Materials Science · Physics 2022-03-16 Wen Wan , Darshana Wickramaratne , Paul Dreher , Rishav Harsh , I. I. Mazin , Miguel M. Ugeda

We systematically investigate the photoexcited (PE) quasi-particle (QP) relaxation and low-energy electronic structure in electron doped Ba(Fe_{1-x}Co_{x})_{2}As_{2} single crystals as a function of Co doping, 0<= x <=0.11. The evolution of…

Superconductivity · Physics 2012-08-07 L. Stojchevska , T. Mertelj , Jiun-Haw Chu , Ian R. Fisher , D. Mihailovic

We report the doping high concentration of tetravalent Ge4+ ions (5 mol % for x = 0.05 to 30 mol % for x = 0.30) at the Fe3+ sites of Fe2-xGexO3 system by chemical coprecipitation route. The charge state of Fe and Ge ions has been modified…

Materials Science · Physics 2023-09-08 Divya Sherin G T , R. N Bhowmik

Group-IV monochalcogenides are emerging as a new class of layered materials beyond graphene, transition metal dichalcogenides (TMDCs), and black phosphorus (BP). In this paper, we report experimental and theoretical investigations of the…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 Wui Chung Yap , Zhengfeng Yang , Mehrshad Mehboudi , Jia-An Yan , Salvador Barraza-Lopez , Wenjuan Zhu

We report optical spectroscopic measurements on electron- and hole-doped BaFe2As2. We show that the compounds in the normal state are not simple metals. The optical conductivity spectra contain, in addition to the free carrier response at…

Superconductivity · Physics 2015-05-28 N. L. Wang , W. Z. Hu , Z. G. Chen , R. H. Yuan , G. Li , G. F. Chen , T. Xiang
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