Pub Date : 2023-11-01DOI: 10.15251/jor.2023.196.663
A. M. Saleh, M. Dawood, S. Chiad, Z. S. A. Mosab, N. Habubi
ZnO and ZnO:Cr films were grown by the chemical spray deposition (CSD). The effect of the Cr content on ZnO was studied. All ZnO films show polycrystalline, hexagonal wurtzite structure, with (002) dominant plane. AFM displayed that films have a compact surface, its root mean square roughness increased with Cr percentage. The average diameter was smaller than 64 nm. The optical bandgap was evaluated using Transmittance data. Their values were found to be decreases via increment in Cr doping.
{"title":"Investigation physical properties of sprayed Cr doped ZnO thin films","authors":"A. M. Saleh, M. Dawood, S. Chiad, Z. S. A. Mosab, N. Habubi","doi":"10.15251/jor.2023.196.663","DOIUrl":"https://doi.org/10.15251/jor.2023.196.663","url":null,"abstract":"ZnO and ZnO:Cr films were grown by the chemical spray deposition (CSD). The effect of the Cr content on ZnO was studied. All ZnO films show polycrystalline, hexagonal wurtzite structure, with (002) dominant plane. AFM displayed that films have a compact surface, its root mean square roughness increased with Cr percentage. The average diameter was smaller than 64 nm. The optical bandgap was evaluated using Transmittance data. Their values were found to be decreases via increment in Cr doping.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":"17 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139299880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.387
P. Singh, S. Mahla, M. G. Chaudhary, R. Agrawal, C. Singh, A. Verma
Two separate computational algorithms have been used in the current investigation of Full-heusler compounds. One is the pseudo-potential approach used in the Atomistic Tool Kit-Virtual Nanolab, while the other is FP-LAPW method as implemented in WIEN2k. In the computational code, these compounds exhibit mattelic character in both the majority and minority spin channels. According to the WIEN2k and ATK-VNL codes, the computed magnetic moments of these compounds Co2CrZ (Z = As, B, Ga, and Pb) are 4.93 µB and 5.02 µB, 3.00 µB and 3.08 µB, 3.02 µB and 3.16 µB, and 4.07 µB and 4.30 µB, respectively. Between the estimated value and the Slater-Pauling rule, we discovered excellent agreement. These compounds' optical characteristics include reflectivity, refractive index, excitation coefficient, and absorption coefficient, among others. An analysis has been done on the electron energy loss and optical conductivity. Both the electron energy-loss function and the absorption coefficient increase as the energy value increases. As per the results of elastic properties, Co2CrZ compounds with Z = As, Pb are ductile by nature, whereas those with Z = B, Ga are brittle. Co2CrZ (Z = As, B, Ga, and Pb) compounds exhibit metallic behaviour when their Cauchy pressure (CP = C12 - C44) value is positive.
{"title":"Structural, electronic, optical, mechanical and magnetic properties of Co2CrZ (Z = As, B, Ga, Pb) full-Heusler compounds","authors":"P. Singh, S. Mahla, M. G. Chaudhary, R. Agrawal, C. Singh, A. Verma","doi":"10.15251/jor.2023.194.387","DOIUrl":"https://doi.org/10.15251/jor.2023.194.387","url":null,"abstract":"Two separate computational algorithms have been used in the current investigation of Full-heusler compounds. One is the pseudo-potential approach used in the Atomistic Tool Kit-Virtual Nanolab, while the other is FP-LAPW method as implemented in WIEN2k. In the computational code, these compounds exhibit mattelic character in both the majority and minority spin channels. According to the WIEN2k and ATK-VNL codes, the computed magnetic moments of these compounds Co2CrZ (Z = As, B, Ga, and Pb) are 4.93 µB and 5.02 µB, 3.00 µB and 3.08 µB, 3.02 µB and 3.16 µB, and 4.07 µB and 4.30 µB, respectively. Between the estimated value and the Slater-Pauling rule, we discovered excellent agreement. These compounds' optical characteristics include reflectivity, refractive index, excitation coefficient, and absorption coefficient, among others. An analysis has been done on the electron energy loss and optical conductivity. Both the electron energy-loss function and the absorption coefficient increase as the energy value increases. As per the results of elastic properties, Co2CrZ compounds with Z = As, Pb are ductile by nature, whereas those with Z = B, Ga are brittle. Co2CrZ (Z = As, B, Ga, and Pb) compounds exhibit metallic behaviour when their Cauchy pressure (CP = C12 - C44) value is positive.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49192705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.401
P. Sateesh, M. Saritha, N. Hemanthkumar, T. Satya, B. Hemachandrarao, K. Sriranjani, K. Sakkaravarthi, N. N. Phani, K. Gopinath, P. Sivakumar
HfxZn1−xO thin films (x=0, 2.5,3, 7.5, 10 and 15mol %) were deposited on glass substrates using Sol-gel process. The influence of the Hf concentration on the structural, electrical, and optical properties of the films was studied. It is found that Hf ions can be effectively doped into ZnO and all films crystallize in the hexagonal wurtzite structure with a preferred c-axis orientation. The lattice constants of HfxZn1−xO films increase with the Hf contents. The HfxZn1−xO thin films structures of high-Hf-content films remain after annealing at 600 °C for 20 min. The optical band gap increases with the Hf content, but it decreases with the annealing temperature. The reduction of bandgap partly results from grain growth, which is due to the quantum confinement effect of the small grains. Hf doping increases the resistivity of ZnO owing to the disorder of the material structure and the higher bandgap, which results in more carrier traps and less thermally excited carriers in the conduction bands. Two FTIR peaks centered at about 1432 and 1056 cm-1 coexist in the fluorescent spectra. With increasing the Hf contents, the intensity of fluorescent peaks enhances remarkably. The Minimum resistivity reached 6.1 * 10-2 Ὠ cm after annealing with 3% Hf content.
{"title":"Influence of doping concentrations of Hf on structural and electrical properties of HfxZn1-xO thin films","authors":"P. Sateesh, M. Saritha, N. Hemanthkumar, T. Satya, B. Hemachandrarao, K. Sriranjani, K. Sakkaravarthi, N. N. Phani, K. Gopinath, P. Sivakumar","doi":"10.15251/jor.2023.194.401","DOIUrl":"https://doi.org/10.15251/jor.2023.194.401","url":null,"abstract":"HfxZn1−xO thin films (x=0, 2.5,3, 7.5, 10 and 15mol %) were deposited on glass substrates using Sol-gel process. The influence of the Hf concentration on the structural, electrical, and optical properties of the films was studied. It is found that Hf ions can be effectively doped into ZnO and all films crystallize in the hexagonal wurtzite structure with a preferred c-axis orientation. The lattice constants of HfxZn1−xO films increase with the Hf contents. The HfxZn1−xO thin films structures of high-Hf-content films remain after annealing at 600 °C for 20 min. The optical band gap increases with the Hf content, but it decreases with the annealing temperature. The reduction of bandgap partly results from grain growth, which is due to the quantum confinement effect of the small grains. Hf doping increases the resistivity of ZnO owing to the disorder of the material structure and the higher bandgap, which results in more carrier traps and less thermally excited carriers in the conduction bands. Two FTIR peaks centered at about 1432 and 1056 cm-1 coexist in the fluorescent spectra. With increasing the Hf contents, the intensity of fluorescent peaks enhances remarkably. The Minimum resistivity reached 6.1 * 10-2 Ὠ cm after annealing with 3% Hf content.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49244031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.439
V. Ciupină, M. Albu, A. Caraiane, C. Porosnicu, C. Staicu, P. Dinca, V. Nicolescu, R. Manu
The co-depositions of Cr-Zr and those of Cr-Zr-O coatings of 500 nm thick were made using magnetron sputtering in continuous mode, in a circular enclosure with a volume of 0.05 m3 evacuated prior to the deposition process under 10-6 mbar vacuum conditions. Silicon and Carbon substrates measuring 12x15mm were used for deposition. The topology of all of the CrZr and CrZrO2 coatings deposited on silicon and carbon substrates have been investigated by Scanning Electron Microscopy (SEM) at three magnifications: 1000x, 5000x and 10.000x. For all of the coatings deposited on Silicon substrates, at all three magnifications, was observed very smooth surfaces with only small topological elements. In some samples, few droplets of around 100nm can be observed. The appearance of particulates is caused by the arching events that occur at target surface during the deposition proces and are more pronounced during reactive sputtering. The coatings deposited on the Carbon substrate show more morphological features as these substrates have a lower grade surface polish finish as to sliced Silicon wafers; the deposited film tends to follow the substrate topology and cracks can be seen on the surface. Were investigated the mechanical properties of the samples of Cr+Zr, respectively Cr+Zr+O2 using The Bruker Hysitron TI 980 TriboIndenter which allows to extrapolate mechanical properties such Young’ s Modulus (YM) and Hardness (H). The experimental results obtained through nanoindentation studies, show: In the absence of oxygen during deposition ( Zr-Cr structures), the Young’s Modulus and Hardness are influenced by the concentration ratio of the two components Cr and Zr, i.e., there is the practical possibility of adjusting the two parameters YM and H by correspondingly changing the concentrations of the components of the structure . In the case of the Cr+Zr+O2 structures, for sample where the concentration of Chromium is maximum and the concentration of Zirconium is minimum, the presence of Oxygen causes a decrease for YM and respectively a decrease for H (in this case Cr-O bonds are predominant). In the case of sample in which the concentration of Zirconium is maximum and the concentration of Chromium is minimum, in the presence of Oxygen (now the bonds Zr-O being predominant), an increase for YM and an increase for H are observed. The crystalline structure was investigated using X-Ray Diffraction (XRD) method, using a setup composed of a diffractometer equipped with a Cu-Kα X-ray sourse, with a specific wavelength of 0.154nm, in a Bragg-Bretano type geometry. In the case of the Cr-Zr sample, diffractograms show that only the peaks corresponding to the Si substrate are visible, highlighting the amorphous character of the structure. Also, the measurements reveal the amorfous character of the Cr-Zr-O sample. In order to highlight the effect of the element Cr together with Zr and O, the diffractogram of the ZrO2 sample and diffractogram of Cr-Zr-O sample are examinated
在10-6 mbar真空条件下，在抽真空容积为0.05 m3的圆形外壳中，采用磁控溅射连续模式共沉积了500 nm厚的Cr-Zr和Cr-Zr- o涂层。采用12x15mm的硅和碳衬底进行沉积。通过扫描电子显微镜(SEM)研究了沉积在硅和碳衬底上的所有CrZr和CrZrO2涂层的拓扑结构，放大倍数分别为1000倍、5000倍和10000倍。对于沉积在硅衬底上的所有涂层，在所有三个放大倍数下，观察到表面非常光滑，只有小的拓扑元素。在一些样品中，可以观察到很少的液滴在100nm左右。颗粒的出现是由沉积过程中靶表面发生的拱起事件引起的，在反应溅射过程中更为明显。沉积在碳衬底上的涂层表现出更多的形态学特征，因为这些衬底具有较低等级的表面抛光，而不是切片硅晶圆;沉积膜倾向于遵循衬底拓扑结构，表面可以看到裂纹。采用Bruker Hysitron TI 980摩擦压头，分别对Cr+Zr和Cr+Zr+O2试样的力学性能进行了研究，该摩擦压头可以推断出杨氏模量(YM)和硬度(H)等力学性能。在无氧沉积(Zr-Cr结构)过程中，杨氏模量和硬度受到Cr和Zr两组分浓度比的影响，即通过相应改变结构组分浓度来调节YM和H这两个参数是可行的。在Cr+Zr+O2结构中，对于铬浓度最高、锆浓度最低的样品，氧的存在分别导致YM和H的降低(在这种情况下，Cr- o键占主导地位)。在样品中，锆的浓度最大，铬的浓度最小，在氧存在的情况下(现在键Zr-O占主导地位)，YM和H的增加被观察到。采用x射线衍射(XRD)方法对晶体结构进行了研究，实验装置由配备cu - k - α x射线源的衍射仪组成，特定波长为0.154nm，呈Bragg-Bretano型几何形状。在Cr-Zr样品中，衍射图显示只有与Si衬底对应的峰可见，突出了结构的非晶态特征。此外，测量结果还揭示了Cr-Zr-O样品的非晶性。为了突出Cr元素与Zr、O元素共同作用的效果，对ZrO2样品的衍射图和Cr-Zr-O样品的衍射图进行比较。考虑到这些材料在牙科中的应用，在ZrO2样品中发现的2条宽的非晶带和在Cr-Zr-O样品中发现的非晶特征，可以对应于用于将贴面附着在这种结构的牙齿上的粘合剂。从这个角度来看，可以说Cr- zr - o结构中Cr元素的存在扩大了其作为粘接剂将贴面附着在牙齿上的可能性。
{"title":"Synthesis and characterization of some Cr-Zr and Cr-Zr-O nanostructures","authors":"V. Ciupină, M. Albu, A. Caraiane, C. Porosnicu, C. Staicu, P. Dinca, V. Nicolescu, R. Manu","doi":"10.15251/jor.2023.194.439","DOIUrl":"https://doi.org/10.15251/jor.2023.194.439","url":null,"abstract":"The co-depositions of Cr-Zr and those of Cr-Zr-O coatings of 500 nm thick were made using magnetron sputtering in continuous mode, in a circular enclosure with a volume of 0.05 m3 evacuated prior to the deposition process under 10-6 mbar vacuum conditions. Silicon and Carbon substrates measuring 12x15mm were used for deposition. The topology of all of the CrZr and CrZrO2 coatings deposited on silicon and carbon substrates have been investigated by Scanning Electron Microscopy (SEM) at three magnifications: 1000x, 5000x and 10.000x. For all of the coatings deposited on Silicon substrates, at all three magnifications, was observed very smooth surfaces with only small topological elements. In some samples, few droplets of around 100nm can be observed. The appearance of particulates is caused by the arching events that occur at target surface during the deposition proces and are more pronounced during reactive sputtering. The coatings deposited on the Carbon substrate show more morphological features as these substrates have a lower grade surface polish finish as to sliced Silicon wafers; the deposited film tends to follow the substrate topology and cracks can be seen on the surface. Were investigated the mechanical properties of the samples of Cr+Zr, respectively Cr+Zr+O2 using The Bruker Hysitron TI 980 TriboIndenter which allows to extrapolate mechanical properties such Young’ s Modulus (YM) and Hardness (H). The experimental results obtained through nanoindentation studies, show: In the absence of oxygen during deposition ( Zr-Cr structures), the Young’s Modulus and Hardness are influenced by the concentration ratio of the two components Cr and Zr, i.e., there is the practical possibility of adjusting the two parameters YM and H by correspondingly changing the concentrations of the components of the structure . In the case of the Cr+Zr+O2 structures, for sample where the concentration of Chromium is maximum and the concentration of Zirconium is minimum, the presence of Oxygen causes a decrease for YM and respectively a decrease for H (in this case Cr-O bonds are predominant). In the case of sample in which the concentration of Zirconium is maximum and the concentration of Chromium is minimum, in the presence of Oxygen (now the bonds Zr-O being predominant), an increase for YM and an increase for H are observed. The crystalline structure was investigated using X-Ray Diffraction (XRD) method, using a setup composed of a diffractometer equipped with a Cu-Kα X-ray sourse, with a specific wavelength of 0.154nm, in a Bragg-Bretano type geometry. In the case of the Cr-Zr sample, diffractograms show that only the peaks corresponding to the Si substrate are visible, highlighting the amorphous character of the structure. Also, the measurements reveal the amorfous character of the Cr-Zr-O sample. In order to highlight the effect of the element Cr together with Zr and O, the diffractogram of the ZrO2 sample and diffractogram of Cr-Zr-O sample are examinated ","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41746150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.433
Liqaa S. Ali, A. Shihab
During the course of this investigation, Ag2Te and Al-doped Ag2Te films' structural and optical properties at various concentrations (1%, 1.5%) are examined. The thermal evaporation method was used to deposit 400-nm thick Ag2Te thin films on glass substrates at 100 °C. The structure is monoclinic of the polycrystalline films were revealed by (XRD). Between 1 and 1.5%, the activated precursor did not vary with respect to the favored direction. According to the XRD results, the mean crystal sizes ranged from 25.62 to 37.13 nm. The surface of the film is incredibly smooth, according to atomic force microscope study (AFM). The produced films' optical characteristics were investigated. optical absorption coefficient (α) of films were determined using the absorption spectra within the wavelength region (400-1000) nm. It was discovered that the optical energy gap allows direct transmission and that it narrows with doping.. AFM was used to measure the grain size and roughness, which change when impurities are added.
{"title":"Ag2Te thin films' structural and optical characteristics as a result of Al doping","authors":"Liqaa S. Ali, A. Shihab","doi":"10.15251/jor.2023.194.433","DOIUrl":"https://doi.org/10.15251/jor.2023.194.433","url":null,"abstract":"During the course of this investigation, Ag2Te and Al-doped Ag2Te films' structural and optical properties at various concentrations (1%, 1.5%) are examined. The thermal evaporation method was used to deposit 400-nm thick Ag2Te thin films on glass substrates at 100 °C. The structure is monoclinic of the polycrystalline films were revealed by (XRD). Between 1 and 1.5%, the activated precursor did not vary with respect to the favored direction. According to the XRD results, the mean crystal sizes ranged from 25.62 to 37.13 nm. The surface of the film is incredibly smooth, according to atomic force microscope study (AFM). The produced films' optical characteristics were investigated. optical absorption coefficient (α) of films were determined using the absorption spectra within the wavelength region (400-1000) nm. It was discovered that the optical energy gap allows direct transmission and that it narrows with doping.. AFM was used to measure the grain size and roughness, which change when impurities are added.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49314937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.411
A. Zaidi, K. Tiwari, R. R. Awasthi, K. Dubey
ZnO metal oxide powder was prepared using co-precipitation method and the effect of sintering temperature was studied. Powder X-ray diffraction (PXRD) technique has been used to investigate the crystal structure and phase analysis. The wurtzite hexagonal crystal structure of the ZnO powder has been clearly seen in the PXRD pattern. Using the Scherer’s formula, the average crystallite size of ZnO powder was determined to be between 27 and 37 nm. The surface has grown spherical nanoparticles with size varying from ~100 nm to ~200 nm, as shown in the scanning electron microscopy (SEM) photograph.
{"title":"Effect of sintering temperature on the structural, morphological and humidity sensing properties of ZnO nanostructure","authors":"A. Zaidi, K. Tiwari, R. R. Awasthi, K. Dubey","doi":"10.15251/jor.2023.194.411","DOIUrl":"https://doi.org/10.15251/jor.2023.194.411","url":null,"abstract":"ZnO metal oxide powder was prepared using co-precipitation method and the effect of sintering temperature was studied. Powder X-ray diffraction (PXRD) technique has been used to investigate the crystal structure and phase analysis. The wurtzite hexagonal crystal structure of the ZnO powder has been clearly seen in the PXRD pattern. Using the Scherer’s formula, the average crystallite size of ZnO powder was determined to be between 27 and 37 nm. The surface has grown spherical nanoparticles with size varying from ~100 nm to ~200 nm, as shown in the scanning electron microscopy (SEM) photograph.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67050507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.453
F. Rafique, M. Ishfaq, S. Aldaghfag, M. Yaseen, M. Zahid, M. Butt
The future technologies belong to the spin-based electronics (called spintronics) which is considered as highly efficient and quick response device with advanced functionalities. In order to develop a functional spintronic device, it is pertinent to control the spin currents and readout of their magnetic states which exemplify the importance of presented study. Herein, physical properties of KNbO 3 are engineered via concentration dependent Ni doping with dopant’s concentration of 12.5%, 25%, 50%, and 75%. Ferromagnetic character is obtained along with spin polarized bands and DOS structures. Further analysis of projected DOS reveals the Ni-d based metallic character in spin down channel along with semiconductive nature in spin up version, translating the considered doped systems into half metallic ferromagnetic (HMFM) materials. The computed HM direct gaps are 0.956, 0.957, 1.040 and 0.876 eV for K 0.875 Ni 0.125 NbO 3 , K 0.75 Ni 0.25 NbO 3 , K 0.5 Ni 0.5 NbO 3 , and K 0.25 Ni 0.75 NbO 3 , respectively. The magnetic moment values obtained for K 0.875 Ni 0.125 NbO 3 , K 0.75 Ni 0.25 NbO 3 , K 0.5 Ni 0.5 NbO 3 , and K 0.25 Ni 0.75 NbO 3 , are 1.00153, 1.00003, 1.02449, and 1.04210 μ B per formula unit, respectively. The determined magnetic moment values illustrate the ferromagnetism in studied Ni modified KNbO 3 , perovskites, which is originated from Ni and minor contribution of O ions. Further, optical response of Ni doped KNbO 3 is studied which show UV region of light as a strong absorbing region. The presented results predict the suitability of considered material in various optical filters and spintronic devices.
未来的技术属于基于自旋的电子技术（称为自旋电子学），它被认为是一种具有先进功能的高效快速响应设备。为了开发一种功能性的自旋电子器件，控制自旋电流及其磁状态的读出是有意义的，这说明了本研究的重要性。本文通过掺杂浓度为12.5%、25%、50%和75%的浓度依赖性Ni掺杂来设计KNbO3的物理性质。获得了铁磁特性以及自旋极化带和DOS结构。对投影DOS的进一步分析揭示了自旋下降通道中的Ni-d基金属特性以及自旋上升版本中的半导电性质，将所考虑的掺杂系统转化为半金属铁磁（HMFM）材料。对于K 0.875 Ni 0.125 NbO3、K 0.75 Ni 0.25 NbO3、K0.5 Ni 0.5 NbO3和K 0.25 Ni 0.75 NbO3，计算的HM直接间隙分别为0.956、0.957、1.040和0.876eV。K 0.875 Ni 0.125 NbO3、K 0.75 Ni 0.25 NbO3、K 0.5 Ni 0.5 NbO3和K 0.25 Ni 0.75 NbO3的磁矩值分别为1.00153、1.00003、1.02449和1.04210μB/公式单位。所测定的磁矩值说明了所研究的镍改性KNbO3钙钛矿中的铁磁性，其来源于Ni和O离子的少量贡献。此外，还研究了Ni掺杂KNbO3的光学响应，表明光的紫外区域是一个强吸收区域。所给出的结果预测了所考虑的材料在各种光学滤波器和自旋电子器件中的适用性。
{"title":"First principles insight into magnetic and optoelectronic properties of Ni doped KNbO3 perovskite","authors":"F. Rafique, M. Ishfaq, S. Aldaghfag, M. Yaseen, M. Zahid, M. Butt","doi":"10.15251/jor.2023.194.453","DOIUrl":"https://doi.org/10.15251/jor.2023.194.453","url":null,"abstract":"The future technologies belong to the spin-based electronics (called spintronics) which is considered as highly efficient and quick response device with advanced functionalities. In order to develop a functional spintronic device, it is pertinent to control the spin currents and readout of their magnetic states which exemplify the importance of presented study. Herein, physical properties of KNbO 3 are engineered via concentration dependent Ni doping with dopant’s concentration of 12.5%, 25%, 50%, and 75%. Ferromagnetic character is obtained along with spin polarized bands and DOS structures. Further analysis of projected DOS reveals the Ni-d based metallic character in spin down channel along with semiconductive nature in spin up version, translating the considered doped systems into half metallic ferromagnetic (HMFM) materials. The computed HM direct gaps are 0.956, 0.957, 1.040 and 0.876 eV for K 0.875 Ni 0.125 NbO 3 , K 0.75 Ni 0.25 NbO 3 , K 0.5 Ni 0.5 NbO 3 , and K 0.25 Ni 0.75 NbO 3 , respectively. The magnetic moment values obtained for K 0.875 Ni 0.125 NbO 3 , K 0.75 Ni 0.25 NbO 3 , K 0.5 Ni 0.5 NbO 3 , and K 0.25 Ni 0.75 NbO 3 , are 1.00153, 1.00003, 1.02449, and 1.04210 μ B per formula unit, respectively. The determined magnetic moment values illustrate the ferromagnetism in studied Ni modified KNbO 3 , perovskites, which is originated from Ni and minor contribution of O ions. Further, optical response of Ni doped KNbO 3 is studied which show UV region of light as a strong absorbing region. The presented results predict the suitability of considered material in various optical filters and spintronic devices.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44757165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-01DOI: 10.15251/jor.2023.194.421
N. Annab, T. Baghdadli, S. Mamoun, A. Merad
InxGa1-xN, as one promising nitride semiconductor alloys for modern optoelectronic devices, has received extensive attention in recent years. However, due to its powerful modulation of energy band gap from UV to visible spectra (0.7-3.4 eV) and its interesting absorption coefficient can range from 103 to 105 cm-1 , depending on the material properties, it can be considered as a potential candidate for high efficiency solar cells. The actual efficiency reached is (30.38%) [1]. In order to enhance more the efficiency, we perform in this work, a device modeling and numerical simulation using SCAPS software. We optimize the photovoltaic characteristics of a solar cell based on InxGa1-xN. This cell is mainly composed of indium gallium nitride semiconductors for both buffer and active layer p-InxGa1-xN/i-InxGa1-xN and the window layer contains of n-ZnO. The optimization of the various optoelectronic parameters allows improving performance of the solar cell, in addition to absorbing as much solar radiation as possible. The main photovoltaic parameters of the analog device: open circuit voltage, short circuit current density, fill factor and conversion efficiency (η) were compared and analyzed. We have reached the conversion efficiency of 26.11% for a thickness of 1450 nm and an n-doping of 3×1018 cm-3 in the active layer (In0.3Ga0.7N). This study investigates the great potential of InGaN solar cells and can be used for the design and manufacture of high efficiency III-nitride based solar cells.
{"title":"Numerical simulation of highly photovoltaic efficiency of InGaN based solar cells with ZnO as window layer","authors":"N. Annab, T. Baghdadli, S. Mamoun, A. Merad","doi":"10.15251/jor.2023.194.421","DOIUrl":"https://doi.org/10.15251/jor.2023.194.421","url":null,"abstract":"InxGa1-xN, as one promising nitride semiconductor alloys for modern optoelectronic devices, has received extensive attention in recent years. However, due to its powerful modulation of energy band gap from UV to visible spectra (0.7-3.4 eV) and its interesting absorption coefficient can range from 103 to 105 cm-1 , depending on the material properties, it can be considered as a potential candidate for high efficiency solar cells. The actual efficiency reached is (30.38%) [1]. In order to enhance more the efficiency, we perform in this work, a device modeling and numerical simulation using SCAPS software. We optimize the photovoltaic characteristics of a solar cell based on InxGa1-xN. This cell is mainly composed of indium gallium nitride semiconductors for both buffer and active layer p-InxGa1-xN/i-InxGa1-xN and the window layer contains of n-ZnO. The optimization of the various optoelectronic parameters allows improving performance of the solar cell, in addition to absorbing as much solar radiation as possible. The main photovoltaic parameters of the analog device: open circuit voltage, short circuit current density, fill factor and conversion efficiency (η) were compared and analyzed. We have reached the conversion efficiency of 26.11% for a thickness of 1450 nm and an n-doping of 3×1018 cm-3 in the active layer (In0.3Ga0.7N). This study investigates the great potential of InGaN solar cells and can be used for the design and manufacture of high efficiency III-nitride based solar cells.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45526219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-05DOI: 10.15251/jor.2023.193.321
A. M. Machinin, A. Awang, C. Pien
The dependence of TiO2/Au concentrations on the physical and optical properties of glass was investigated thoroughly. Variations in density, molar volume, molar refraction, refractive index, and polarizability with varying TiO2/Au contents were affected by the formation of non-bridging oxygen. The formation of big islands in the atomic force microscopy image signifies the growth of nanoparticles. The decrement in band gap manifests alteration in the glass network mainly the local field around the Er3+ ions. The rise in Urbach energy illustrates disorder in the glass. The beneficial features of the current glass composition may be useful for photonic devices.
{"title":"Physical and optical traits of tellurite glass: effect of bimetallic TiO2/Au nanoparticles","authors":"A. M. Machinin, A. Awang, C. Pien","doi":"10.15251/jor.2023.193.321","DOIUrl":"https://doi.org/10.15251/jor.2023.193.321","url":null,"abstract":"The dependence of TiO2/Au concentrations on the physical and optical properties of glass was investigated thoroughly. Variations in density, molar volume, molar refraction, refractive index, and polarizability with varying TiO2/Au contents were affected by the formation of non-bridging oxygen. The formation of big islands in the atomic force microscopy image signifies the growth of nanoparticles. The decrement in band gap manifests alteration in the glass network mainly the local field around the Er3+ ions. The rise in Urbach energy illustrates disorder in the glass. The beneficial features of the current glass composition may be useful for photonic devices.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44315018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-05DOI: 10.15251/jor.2023.193.331
A. Ramos-Carrazco, J. V. Lopez-Fernandez, R. Rangel-Segura, J. R. Noriega, D. Berman-Mendoza, R. García-Gutiérrez, A. Vera-Marquina, R. Gómez-Fuentes, G. Valenzuela-Hernandez
The growth of Ag NPs decorated ZnO tip-like nanowires was obtained by a combination of the chemical vapor deposition and the micro-spraying methods. ZnO growth was analyzed by a two-level factorial experimental design with temperature, pressure, and zinc mass as the main parameters. The process of Ag NPs synthesis by electrolysis and their transport to the semiconductor surface using micro-spraying is presented in detail. By means of electrical and X-ray photoelectron spectroscopy, the potential of Ag NPs decorated ZnO tip-like nanowires to be used an active layer in gas sensor is demonstrated.
{"title":"Ag nanoparticles decorated ZnO tip-likenanowire for improving gas sensing applications","authors":"A. Ramos-Carrazco, J. V. Lopez-Fernandez, R. Rangel-Segura, J. R. Noriega, D. Berman-Mendoza, R. García-Gutiérrez, A. Vera-Marquina, R. Gómez-Fuentes, G. Valenzuela-Hernandez","doi":"10.15251/jor.2023.193.331","DOIUrl":"https://doi.org/10.15251/jor.2023.193.331","url":null,"abstract":"The growth of Ag NPs decorated ZnO tip-like nanowires was obtained by a combination of the chemical vapor deposition and the micro-spraying methods. ZnO growth was analyzed by a two-level factorial experimental design with temperature, pressure, and zinc mass as the main parameters. The process of Ag NPs synthesis by electrolysis and their transport to the semiconductor surface using micro-spraying is presented in detail. By means of electrical and X-ray photoelectron spectroscopy, the potential of Ag NPs decorated ZnO tip-like nanowires to be used an active layer in gas sensor is demonstrated.","PeriodicalId":54394,"journal":{"name":"Journal of Ovonic Research","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41313144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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